# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2022

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
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data_C72H88DyI3O12P5
_database_code_depnum_ccdc_archive 'CCDC 2063601'
loop_
_audit_author_name
_audit_author_address
'Qu YunXia'
;Sun YatSen University
China
;
_audit_update_record             
;
2021-07-05 deposited with the CCDC.	2022-04-13 downloaded from the CCDC.
;
_audit_creation_date             2021-07-01
_audit_creation_method           
;
Olex2 1.3
(compiled 2020.11.12 svn.r5f609507 for OlexSys, GUI svn.r6272)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         
'C42 H52 Dy O8 P3, 3(I), C28 H28 O2 P2, H2 O, C2 H6 O'
_chemical_formula_sum            'C72 H88 Dy I3 O12 P5'
_chemical_formula_weight         1843.47
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Dy Dy -0.1892 4.4098 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
I I -0.4742 1.8119 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   12.6227(5)
_cell_length_b                   13.5467(5)
_cell_length_c                   23.6777(11)
_cell_angle_alpha                100.264(2)
_cell_angle_beta                 98.186(2)
_cell_angle_gamma                102.180(2)
_cell_volume                     3825.5(3)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    9839
_cell_measurement_temperature    120(2)
_cell_measurement_theta_max      25.361
_cell_measurement_theta_min      2.494
_shelx_estimated_absorpt_T_max   0.902
_shelx_estimated_absorpt_T_min   0.744
_exptl_absorpt_coefficient_mu    2.348
_exptl_absorpt_correction_T_max  0.7452
_exptl_absorpt_correction_T_min  0.6483
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2014/5 (Bruker,2014/5) was used for absorption correction.
wR2(int) was 0.1126 before and 0.0548 after correction.
The Ratio of minimum to maximum transmission is 0.8700.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.600
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       NEEDLE
_exptl_crystal_F_000             1832
_exptl_crystal_size_max          0.134
_exptl_crystal_size_mid          0.067
_exptl_crystal_size_min          0.045
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0428
_diffrn_reflns_av_unetI/netI     0.0313
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.996
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_number            66147
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.996
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         25.404
_diffrn_reflns_theta_min         2.494
_diffrn_ambient_temperature      119.99
_diffrn_detector                 'Bruker PHOTON 100 CMOS detector'
_diffrn_detector_area_resol_mean ?
_diffrn_detector_type            'CMOS active pixel sensor detector'
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device       'Bruker D8 QUEST'
_diffrn_measurement_device_type  'Bruker D8 QUEST'
_diffrn_measurement_method       'ω and φ scans'
_diffrn_radiation_monochromator  'mirror optics'
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'I\mS microfocus'
_diffrn_source_current           1.0
_diffrn_source_power             0.05
_diffrn_source_type              'I\mS microfocus'
_diffrn_source_voltage           50.0
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                12007
_reflns_number_total             14046
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT v8.37A (Bruker, 2015)'
_computing_data_collection       'APEX3 v2016.1-0'
_computing_data_reduction        'SAINT v8.37A (Bruker, 2015)'
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'olex2.solve (Bourhis et al., 2015)'
_refine_diff_density_max         0.375
_refine_diff_density_min         -0.607
_refine_diff_density_rms         0.080
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.023
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     878
_refine_ls_number_reflns         14046
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0319
_refine_ls_R_factor_gt           0.0219
_refine_ls_restrained_S_all      1.023
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0156P)²+2.6283P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0429
_refine_ls_wR_factor_ref         0.0455
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups, All O(H) groups, All O(H,H) groups
2.a Secondary CH2 refined with riding coordinates:
 C1(H1A,H1B), C2(H2A,H2B), C3(H3A,H3B), C4(H4A,H4B), C41(H41A,H41B), C42(H42A,
 H42B), C43(H43A,H43B), C44(H44A,H44B), C69(H69A,H69B), C70(H70A,H70B),
 C72(H72A,H72B)
2.b Aromatic/amide H refined with riding coordinates:
 C6(H6), C7(H7), C8(H8), C9(H9), C10(H10), C12(H12), C13(H13), C14(H14),
 C15(H15), C16(H16), C18(H18), C19(H19), C20(H20), C21(H21), C22(H22), C24(H24),
  C25(H25), C26(H26), C27(H27), C28(H28), C30(H30), C31(H31), C32(H32),
 C33(H33), C34(H34), C36(H36), C37(H37), C38(H38), C39(H39), C40(H40), C46(H46),
  C47(H47), C48(H48), C49(H49), C50(H50), C52(H52), C53(H53), C54(H54),
 C55(H55), C56(H56), C58(H58), C59(H59), C60(H60), C61(H61), C62(H62), C64(H64),
  C65(H65), C66(H66), C67(H67), C68(H68)
2.c Idealised Me refined as rotating group:
 C71(H71A,H71B,H71C)
;
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Dy1 Dy 0.33775(2) 0.38811(2) 0.27746(2) 0.00970(3) Uani 1 1 d . . . . .
I1 I 0.21837(2) 0.69007(2) 0.43147(2) 0.01880(4) Uani 1 1 d . . . . .
I2 I 0.63933(2) 0.44874(2) 0.16268(2) 0.01788(4) Uani 1 1 d . . . . .
I3 I 0.02364(2) -0.06790(2) 0.14797(2) 0.02484(5) Uani 1 1 d . . . . .
P1 P 0.06623(5) 0.39772(5) 0.19603(3) 0.01151(14) Uani 1 1 d . . . . .
P2 P 0.25683(6) 0.12917(5) 0.03462(3) 0.01208(14) Uani 1 1 d . . . . .
P3 P 0.24989(6) 0.08973(5) 0.40723(3) 0.01330(14) Uani 1 1 d . . . . .
P4 P 0.35251(6) -0.27681(5) 0.19968(3) 0.01293(14) Uani 1 1 d . . . . .
P5 P 0.56712(5) 0.35354(5) 0.38225(3) 0.00968(13) Uani 1 1 d . . . . .
O1 O 0.18201(14) 0.40011(13) 0.22482(7) 0.0141(4) Uani 1 1 d . . . . .
O2 O 0.31032(15) 0.15390(13) 0.09813(7) 0.0159(4) Uani 1 1 d . . . . .
O3 O 0.48330(14) 0.36662(13) 0.33391(7) 0.0134(4) Uani 1 1 d . . . . .
O4 O 0.25392(16) 0.17129(13) 0.37179(8) 0.0188(4) Uani 1 1 d . . . . .
O5 O 0.37051(16) -0.34472(13) 0.24182(8) 0.0200(4) Uani 1 1 d . . . . .
O6 O 0.29933(18) 0.05398(15) 0.18744(9) 0.0203(4) Uani 1 1 d . . . . .
H6A H 0.234(3) 0.017(2) 0.1780(14) 0.031 Uiso 1 1 d . U . . .
H6B H 0.307(3) 0.078(2) 0.1592(14) 0.031 Uiso 1 1 d . U . . .
O7 O 0.27011(16) 0.20987(14) 0.26445(9) 0.0157(4) Uani 1 1 d . . . . .
H7A H 0.261(3) 0.189(2) 0.2903(14) 0.023 Uiso 1 1 d . U . . .
H7B H 0.278(2) 0.164(2) 0.2386(13) 0.023 Uiso 1 1 d . U . . .
O8 O 0.38738(17) 0.31381(16) 0.18973(9) 0.0210(5) Uani 1 1 d . . . . .
H8A H 0.441(3) 0.339(3) 0.1820(14) 0.032 Uiso 1 1 d . U . . .
H8B H 0.359(3) 0.262(2) 0.1611(14) 0.032 Uiso 1 1 d . U . . .
O9 O 0.47433(17) 0.51510(14) 0.25589(9) 0.0194(4) Uani 1 1 d . . . . .
H9A H 0.520(3) 0.502(2) 0.2326(13) 0.029 Uiso 1 1 d . U . . .
H9B H 0.453(3) 0.566(2) 0.2467(13) 0.029 Uiso 1 1 d . U . . .
O10 O 0.33018(17) 0.55388(14) 0.32705(9) 0.0182(4) Uani 1 1 d . . . . .
H10A H 0.307(3) 0.577(2) 0.3547(14) 0.027 Uiso 1 1 d . U . . .
H10B H 0.335(3) 0.593(2) 0.3074(14) 0.027 Uiso 1 1 d . U . . .
O11 O 0.25941(17) 0.36464(15) 0.36002(9) 0.0197(5) Uani 1 1 d . . . . .
H11A H 0.213(3) 0.396(2) 0.3766(13) 0.030 Uiso 1 1 d . U . . .
H11B H 0.257(3) 0.315(3) 0.3672(14) 0.030 Uiso 1 1 d . U . . .
O12 O 0.10299(18) 0.42231(16) 0.41239(9) 0.0290(5) Uani 1 1 d . . . . .
H12A H 0.109(3) 0.483(3) 0.4126(15) 0.043 Uiso 1 1 d . U . . .
C1 C 0.0472(2) 0.3533(2) 0.11857(11) 0.0159(6) Uani 1 1 d . . . . .
H1A H -0.032204 0.338576 0.101374 0.019 Uiso 1 1 calc R U . . .
H1B H 0.087335 0.408412 0.101637 0.019 Uiso 1 1 calc R U . . .
C2 C 0.0888(2) 0.2558(2) 0.10282(11) 0.0197(6) Uani 1 1 d . . . . .
H2A H 0.168658 0.271285 0.119101 0.024 Uiso 1 1 calc R U . . .
H2B H 0.050407 0.201613 0.121012 0.024 Uiso 1 1 calc R U . . .
C3 C 0.0702(2) 0.2148(2) 0.03755(11) 0.0168(6) Uani 1 1 d . . . . .
H3A H 0.109041 0.268989 0.019528 0.020 Uiso 1 1 calc R U . . .
H3B H -0.009629 0.200219 0.021339 0.020 Uiso 1 1 calc R U . . .
C4 C 0.1103(2) 0.11666(19) 0.02085(11) 0.0156(6) Uani 1 1 d . . . . .
H4A H 0.082161 0.087669 -0.021380 0.019 Uiso 1 1 calc R U . . .
H4B H 0.076211 0.065505 0.042143 0.019 Uiso 1 1 calc R U . . .
C5 C 0.3201(2) 0.22574(18) -0.00135(11) 0.0119(5) Uani 1 1 d . . . . .
C6 C 0.2664(2) 0.24411(19) -0.05304(11) 0.0155(6) Uani 1 1 d . . . . .
H6 H 0.193033 0.206123 -0.069959 0.019 Uiso 1 1 calc R U . . .
C7 C 0.3210(2) 0.3180(2) -0.07928(12) 0.0175(6) Uani 1 1 d . . . . .
H7 H 0.284552 0.331333 -0.114065 0.021 Uiso 1 1 calc R U . . .
C8 C 0.4289(2) 0.3729(2) -0.05503(12) 0.0191(6) Uani 1 1 d . . . . .
H8 H 0.466083 0.423010 -0.073517 0.023 Uiso 1 1 calc R U . . .
C9 C 0.4820(2) 0.3547(2) -0.00409(12) 0.0201(6) Uani 1 1 d . . . . .
H9 H 0.555763 0.392096 0.012346 0.024 Uiso 1 1 calc R U . . .
C10 C 0.4275(2) 0.28187(19) 0.02302(11) 0.0159(6) Uani 1 1 d . . . . .
H10 H 0.463688 0.270250 0.058375 0.019 Uiso 1 1 calc R U . . .
C11 C 0.2753(2) 0.00695(18) -0.00174(11) 0.0136(6) Uani 1 1 d . . . . .
C12 C 0.2168(2) -0.0434(2) -0.05761(11) 0.0179(6) Uani 1 1 d . . . . .
H12 H 0.164178 -0.014126 -0.077166 0.021 Uiso 1 1 calc R U . . .
C13 C 0.2356(2) -0.1361(2) -0.08463(12) 0.0220(6) Uani 1 1 d . . . . .
H13 H 0.195600 -0.170193 -0.122653 0.026 Uiso 1 1 calc R U . . .
C14 C 0.3121(3) -0.1790(2) -0.05645(13) 0.0294(7) Uani 1 1 d . . . . .
H14 H 0.324383 -0.242651 -0.075012 0.035 Uiso 1 1 calc R U . . .
C15 C 0.3707(3) -0.1293(2) -0.00122(14) 0.0375(9) Uani 1 1 d . . . . .
H15 H 0.423578 -0.158704 0.018041 0.045 Uiso 1 1 calc R U . . .
C16 C 0.3526(3) -0.0365(2) 0.02613(12) 0.0265(7) Uani 1 1 d . . . . .
H16 H 0.393248 -0.002568 0.064041 0.032 Uiso 1 1 calc R U . . .
C17 C -0.0331(2) 0.30893(19) 0.22141(10) 0.0117(5) Uani 1 1 d . . . . .
C18 C -0.1347(2) 0.3291(2) 0.22901(11) 0.0160(6) Uani 1 1 d . . . . .
H18 H -0.150664 0.392375 0.223005 0.019 Uiso 1 1 calc R U . . .
C19 C -0.2120(2) 0.2563(2) 0.24536(12) 0.0217(6) Uani 1 1 d . . . . .
H19 H -0.280973 0.269988 0.251119 0.026 Uiso 1 1 calc R U . . .
C20 C -0.1894(2) 0.1636(2) 0.25337(12) 0.0221(6) Uani 1 1 d . . . . .
H20 H -0.242759 0.114073 0.264782 0.026 Uiso 1 1 calc R U . . .
C21 C -0.0900(2) 0.1429(2) 0.24489(11) 0.0181(6) Uani 1 1 d . . . . .
H21 H -0.075947 0.078399 0.249684 0.022 Uiso 1 1 calc R U . . .
C22 C -0.0105(2) 0.21484(19) 0.22949(11) 0.0145(6) Uani 1 1 d . . . . .
H22 H 0.058621 0.200767 0.224437 0.017 Uiso 1 1 calc R U . . .
C23 C 0.0353(2) 0.52234(19) 0.21064(11) 0.0131(5) Uani 1 1 d . . . . .
C24 C 0.0655(2) 0.58156(19) 0.26700(11) 0.0150(6) Uani 1 1 d . . . . .
H24 H 0.102978 0.556569 0.297055 0.018 Uiso 1 1 calc R U . . .
C25 C 0.0410(2) 0.6775(2) 0.27977(12) 0.0189(6) Uani 1 1 d . . . . .
H25 H 0.061624 0.718231 0.318460 0.023 Uiso 1 1 calc R U . . .
C26 C -0.0136(2) 0.7134(2) 0.23564(13) 0.0224(7) Uani 1 1 d . . . . .
H26 H -0.029962 0.779176 0.244196 0.027 Uiso 1 1 calc R U . . .
C27 C -0.0442(2) 0.6550(2) 0.17985(14) 0.0278(7) Uani 1 1 d . . . . .
H27 H -0.081837 0.680311 0.149982 0.033 Uiso 1 1 calc R U . . .
C28 C -0.0205(2) 0.5587(2) 0.16675(13) 0.0235(7) Uani 1 1 d . . . . .
H28 H -0.042182 0.517994 0.128075 0.028 Uiso 1 1 calc R U . . .
C29 C 0.2831(2) -0.34967(19) 0.12834(11) 0.0157(6) Uani 1 1 d . . . . .
C30 C 0.2032(3) -0.3187(2) 0.09370(13) 0.0311(7) Uani 1 1 d . . . . .
H30 H 0.180992 -0.257739 0.108129 0.037 Uiso 1 1 calc R U . . .
C31 C 0.1561(3) -0.3768(3) 0.03822(14) 0.0425(9) Uani 1 1 d . . . . .
H31 H 0.100948 -0.355734 0.014822 0.051 Uiso 1 1 calc R U . . .
C32 C 0.1882(3) -0.4650(3) 0.01644(14) 0.0377(8) Uani 1 1 d . . . . .
H32 H 0.155963 -0.503921 -0.021937 0.045 Uiso 1 1 calc R U . . .
C33 C 0.2674(3) -0.4969(2) 0.05056(13) 0.0274(7) Uani 1 1 d . . . . .
H33 H 0.289702 -0.557585 0.035708 0.033 Uiso 1 1 calc R U . . .
C34 C 0.3137(2) -0.4403(2) 0.10598(12) 0.0200(6) Uani 1 1 d . . . . .
H34 H 0.367223 -0.462884 0.129516 0.024 Uiso 1 1 calc R U . . .
C35 C 0.4833(2) -0.20375(19) 0.19059(11) 0.0149(6) Uani 1 1 d . . . . .
C36 C 0.4881(2) -0.1366(2) 0.15223(12) 0.0226(6) Uani 1 1 d . . . . .
H36 H 0.421741 -0.128460 0.131067 0.027 Uiso 1 1 calc R U . . .
C37 C 0.5889(3) -0.0816(2) 0.14483(14) 0.0299(7) Uani 1 1 d . . . . .
H37 H 0.591578 -0.035646 0.118786 0.036 Uiso 1 1 calc R U . . .
C38 C 0.6848(3) -0.0932(2) 0.17491(14) 0.0312(8) Uani 1 1 d . . . . .
H38 H 0.753680 -0.055949 0.169197 0.037 Uiso 1 1 calc R U . . .
C39 C 0.6822(2) -0.1587(2) 0.21355(14) 0.0320(8) Uani 1 1 d . . . . .
H39 H 0.749038 -0.165622 0.234734 0.038 Uiso 1 1 calc R U . . .
C40 C 0.5806(2) -0.2148(2) 0.22135(12) 0.0236(7) Uani 1 1 d . . . . .
H40 H 0.578388 -0.260347 0.247623 0.028 Uiso 1 1 calc R U . . .
C41 C 0.2764(2) -0.18656(19) 0.22547(11) 0.0143(6) Uani 1 1 d . . . . .
H41A H 0.287608 -0.128450 0.205099 0.017 Uiso 1 1 calc R U . . .
H41B H 0.196684 -0.220809 0.216946 0.017 Uiso 1 1 calc R U . . .
C42 C 0.3149(2) -0.14544(19) 0.29124(11) 0.0148(6) Uani 1 1 d . . . . .
H42A H 0.292148 -0.201846 0.311708 0.018 Uiso 1 1 calc R U . . .
H42B H 0.396433 -0.123080 0.300101 0.018 Uiso 1 1 calc R U . . .
C43 C 0.2675(2) -0.0548(2) 0.31413(11) 0.0172(6) Uani 1 1 d . . . . .
H43A H 0.186195 -0.078363 0.308326 0.021 Uiso 1 1 calc R U . . .
H43B H 0.285243 -0.000363 0.291685 0.021 Uiso 1 1 calc R U . . .
C44 C 0.3145(2) -0.00954(19) 0.37918(11) 0.0145(6) Uani 1 1 d . . . . .
H44A H 0.394941 0.019608 0.384613 0.017 Uiso 1 1 calc R U . . .
H44B H 0.302369 -0.065234 0.401249 0.017 Uiso 1 1 calc R U . . .
C45 C 0.1101(2) 0.02512(19) 0.40641(11) 0.0157(6) Uani 1 1 d . . . . .
C46 C 0.0254(3) 0.0513(3) 0.37308(15) 0.0349(8) Uani 1 1 d . . . . .
H46 H 0.041727 0.104966 0.352425 0.042 Uiso 1 1 calc R U . . .
C47 C -0.0831(3) -0.0004(3) 0.36968(17) 0.0505(11) Uani 1 1 d . . . . .
H47 H -0.140955 0.018146 0.346810 0.061 Uiso 1 1 calc R U . . .
C48 C -0.1075(3) -0.0779(3) 0.39900(16) 0.0413(9) Uani 1 1 d . . . . .
H48 H -0.182150 -0.112835 0.396600 0.050 Uiso 1 1 calc R U . . .
C49 C -0.0240(3) -0.1055(2) 0.43209(15) 0.0328(8) Uani 1 1 d . . . . .
H49 H -0.041210 -0.159898 0.452143 0.039 Uiso 1 1 calc R U . . .
C50 C 0.0845(2) -0.0542(2) 0.43612(13) 0.0251(7) Uani 1 1 d . . . . .
H50 H 0.141914 -0.072966 0.459201 0.030 Uiso 1 1 calc R U . . .
C51 C 0.3157(2) 0.14550(19) 0.48208(11) 0.0141(6) Uani 1 1 d . . . . .
C52 C 0.2763(2) 0.2244(2) 0.51247(12) 0.0191(6) Uani 1 1 d . . . . .
H52 H 0.213210 0.242825 0.494512 0.023 Uiso 1 1 calc R U . . .
C53 C 0.3289(2) 0.2755(2) 0.56863(12) 0.0236(7) Uani 1 1 d . . . . .
H53 H 0.301457 0.328644 0.589120 0.028 Uiso 1 1 calc R U . . .
C54 C 0.4208(3) 0.2499(2) 0.59501(13) 0.0277(7) Uani 1 1 d . . . . .
H54 H 0.456391 0.284956 0.633648 0.033 Uiso 1 1 calc R U . . .
C55 C 0.4609(3) 0.1730(2) 0.56496(13) 0.0316(7) Uani 1 1 d . . . . .
H55 H 0.524856 0.155818 0.582905 0.038 Uiso 1 1 calc R U . . .
C56 C 0.4087(2) 0.1207(2) 0.50889(13) 0.0256(7) Uani 1 1 d . . . . .
H56 H 0.436643 0.067687 0.488695 0.031 Uiso 1 1 calc R U . . .
C57 C 0.6963(2) 0.44271(18) 0.38560(11) 0.0109(5) Uani 1 1 d . . . . .
C58 C 0.7156(2) 0.47658(19) 0.33488(11) 0.0138(6) Uani 1 1 d . . . . .
H58 H 0.662636 0.449921 0.299731 0.017 Uiso 1 1 calc R U . . .
C59 C 0.8115(2) 0.5488(2) 0.33555(12) 0.0186(6) Uani 1 1 d . . . . .
H59 H 0.824699 0.571340 0.300864 0.022 Uiso 1 1 calc R U . . .
C60 C 0.8882(2) 0.5882(2) 0.38691(12) 0.0225(6) Uani 1 1 d . . . . .
H60 H 0.953716 0.638369 0.387511 0.027 Uiso 1 1 calc R U . . .
C61 C 0.8698(2) 0.5548(2) 0.43724(12) 0.0234(6) Uani 1 1 d . . . . .
H61 H 0.922941 0.582078 0.472297 0.028 Uiso 1 1 calc R U . . .
C62 C 0.7746(2) 0.4819(2) 0.43697(11) 0.0164(6) Uani 1 1 d . . . . .
H62 H 0.762562 0.458726 0.471633 0.020 Uiso 1 1 calc R U . . .
C63 C 0.5825(2) 0.22288(18) 0.36678(11) 0.0112(5) Uani 1 1 d . . . . .
C64 C 0.5382(2) 0.16135(19) 0.31146(11) 0.0137(5) Uani 1 1 d . . . . .
H64 H 0.498860 0.187859 0.282800 0.016 Uiso 1 1 calc R U . . .
C65 C 0.5514(2) 0.06145(19) 0.29800(12) 0.0179(6) Uani 1 1 d . . . . .
H65 H 0.521878 0.019634 0.260016 0.021 Uiso 1 1 calc R U . . .
C66 C 0.6078(2) 0.0226(2) 0.34024(13) 0.0206(6) Uani 1 1 d . . . . .
H66 H 0.616525 -0.046025 0.331133 0.025 Uiso 1 1 calc R U . . .
C67 C 0.6513(2) 0.0832(2) 0.39534(12) 0.0222(6) Uani 1 1 d . . . . .
H67 H 0.689425 0.055973 0.424094 0.027 Uiso 1 1 calc R U . . .
C68 C 0.6395(2) 0.1838(2) 0.40891(12) 0.0183(6) Uani 1 1 d . . . . .
H68 H 0.670180 0.225742 0.446748 0.022 Uiso 1 1 calc R U . . .
C69 C 0.5283(2) 0.37889(18) 0.45229(10) 0.0109(5) Uani 1 1 d . . . . .
H69A H 0.457425 0.329866 0.451416 0.013 Uiso 1 1 calc R U . . .
H69B H 0.584790 0.366765 0.482048 0.013 Uiso 1 1 calc R U . . .
C70 C 0.5158(2) 0.48976(19) 0.47012(11) 0.0150(6) Uani 1 1 d . . . . .
H70A H 0.586386 0.538959 0.470698 0.018 Uiso 1 1 calc R U . . .
H70B H 0.458592 0.501775 0.440723 0.018 Uiso 1 1 calc R U . . .
C71 C -0.0584(3) 0.2939(3) 0.41827(15) 0.0427(9) Uani 1 1 d . . . . .
H71A H -0.127505 0.248387 0.394994 0.064 Uiso 1 1 calc R U . . .
H71B H -0.074348 0.339391 0.451365 0.064 Uiso 1 1 calc R U . . .
H71C H -0.010609 0.251925 0.432848 0.064 Uiso 1 1 calc R U . . .
C72 C -0.0013(3) 0.3578(2) 0.38105(13) 0.0330(8) Uani 1 1 d . . . . .
H72A H 0.010308 0.311670 0.346263 0.040 Uiso 1 1 calc R U . . .
H72B H -0.048721 0.401697 0.367365 0.040 Uiso 1 1 calc R U . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Dy1 O1 2.2256(16) . ?
Dy1 O3 2.2163(16) . ?
Dy1 O7 2.3333(18) . ?
Dy1 O8 2.3688(19) . ?
Dy1 O9 2.3462(19) . ?
Dy1 O10 2.3693(19) . ?
Dy1 O11 2.3538(19) . ?
P1 O1 1.5134(17) . ?
P1 C1 1.790(3) . ?
P1 C17 1.793(3) . ?
P1 C23 1.797(2) . ?
P2 O2 1.5051(18) . ?
P2 C4 1.798(3) . ?
P2 C5 1.796(2) . ?
P2 C11 1.802(2) . ?
P3 O4 1.4987(18) . ?
P3 C44 1.792(2) . ?
P3 C45 1.793(3) . ?
P3 C51 1.800(3) . ?
P4 O5 1.4981(18) . ?
P4 C29 1.793(3) . ?
P4 C35 1.800(3) . ?
P4 C41 1.785(2) . ?
P5 O3 1.5059(17) . ?
P5 C57 1.795(3) . ?
P5 C63 1.800(2) . ?
P5 C69 1.791(2) . ?
O6 H6A 0.84(3) . ?
O6 H6B 0.80(3) . ?
O7 H7A 0.73(3) . ?
O7 H7B 0.82(3) . ?
O8 H8A 0.76(3) . ?
O8 H8B 0.86(3) . ?
O9 H9A 0.88(3) . ?
O9 H9B 0.84(3) . ?
O10 H10A 0.80(3) . ?
O10 H10B 0.77(3) . ?
O11 H11A 0.89(3) . ?
O11 H11B 0.72(3) . ?
O12 H12A 0.81(3) . ?
O12 C72 1.432(4) . ?
C1 H1A 0.9900 . ?
C1 H1B 0.9900 . ?
C1 C2 1.528(3) . ?
C2 H2A 0.9900 . ?
C2 H2B 0.9900 . ?
C2 C3 1.512(4) . ?
C3 H3A 0.9900 . ?
C3 H3B 0.9900 . ?
C3 C4 1.528(3) . ?
C4 H4A 0.9900 . ?
C4 H4B 0.9900 . ?
C5 C6 1.401(3) . ?
C5 C10 1.391(4) . ?
C6 H6 0.9500 . ?
C6 C7 1.384(4) . ?
C7 H7 0.9500 . ?
C7 C8 1.391(4) . ?
C8 H8 0.9500 . ?
C8 C9 1.382(4) . ?
C9 H9 0.9500 . ?
C9 C10 1.387(4) . ?
C10 H10 0.9500 . ?
C11 C12 1.396(4) . ?
C11 C16 1.390(4) . ?
C12 H12 0.9500 . ?
C12 C13 1.387(4) . ?
C13 H13 0.9500 . ?
C13 C14 1.381(4) . ?
C14 H14 0.9500 . ?
C14 C15 1.383(4) . ?
C15 H15 0.9500 . ?
C15 C16 1.387(4) . ?
C16 H16 0.9500 . ?
C17 C18 1.397(4) . ?
C17 C22 1.403(3) . ?
C18 H18 0.9500 . ?
C18 C19 1.383(4) . ?
C19 H19 0.9500 . ?
C19 C20 1.384(4) . ?
C20 H20 0.9500 . ?
C20 C21 1.376(4) . ?
C21 H21 0.9500 . ?
C21 C22 1.382(4) . ?
C22 H22 0.9500 . ?
C23 C24 1.384(4) . ?
C23 C28 1.393(4) . ?
C24 H24 0.9500 . ?
C24 C25 1.390(3) . ?
C25 H25 0.9500 . ?
C25 C26 1.386(4) . ?
C26 H26 0.9500 . ?
C26 C27 1.369(4) . ?
C27 H27 0.9500 . ?
C27 C28 1.391(4) . ?
C28 H28 0.9500 . ?
C29 C30 1.389(4) . ?
C29 C34 1.401(4) . ?
C30 H30 0.9500 . ?
C30 C31 1.382(4) . ?
C31 H31 0.9500 . ?
C31 C32 1.380(5) . ?
C32 H32 0.9500 . ?
C32 C33 1.383(5) . ?
C33 H33 0.9500 . ?
C33 C34 1.373(4) . ?
C34 H34 0.9500 . ?
C35 C36 1.394(4) . ?
C35 C40 1.387(4) . ?
C36 H36 0.9500 . ?
C36 C37 1.384(4) . ?
C37 H37 0.9500 . ?
C37 C38 1.368(5) . ?
C38 H38 0.9500 . ?
C38 C39 1.382(4) . ?
C39 H39 0.9500 . ?
C39 C40 1.401(4) . ?
C40 H40 0.9500 . ?
C41 H41A 0.9900 . ?
C41 H41B 0.9900 . ?
C41 C42 1.527(3) . ?
C42 H42A 0.9900 . ?
C42 H42B 0.9900 . ?
C42 C43 1.525(3) . ?
C43 H43A 0.9900 . ?
C43 H43B 0.9900 . ?
C43 C44 1.533(4) . ?
C44 H44A 0.9900 . ?
C44 H44B 0.9900 . ?
C45 C46 1.382(4) . ?
C45 C50 1.393(4) . ?
C46 H46 0.9500 . ?
C46 C47 1.385(4) . ?
C47 H47 0.9500 . ?
C47 C48 1.364(5) . ?
C48 H48 0.9500 . ?
C48 C49 1.378(5) . ?
C49 H49 0.9500 . ?
C49 C50 1.381(4) . ?
C50 H50 0.9500 . ?
C51 C52 1.400(4) . ?
C51 C56 1.387(4) . ?
C52 H52 0.9500 . ?
C52 C53 1.384(4) . ?
C53 H53 0.9500 . ?
C53 C54 1.377(4) . ?
C54 H54 0.9500 . ?
C54 C55 1.382(4) . ?
C55 H55 0.9500 . ?
C55 C56 1.385(4) . ?
C56 H56 0.9500 . ?
C57 C58 1.394(3) . ?
C57 C62 1.394(3) . ?
C58 H58 0.9500 . ?
C58 C59 1.383(4) . ?
C59 H59 0.9500 . ?
C59 C60 1.384(4) . ?
C60 H60 0.9500 . ?
C60 C61 1.380(4) . ?
C61 H61 0.9500 . ?
C61 C62 1.384(4) . ?
C62 H62 0.9500 . ?
C63 C64 1.389(3) . ?
C63 C68 1.392(4) . ?
C64 H64 0.9500 . ?
C64 C65 1.384(3) . ?
C65 H65 0.9500 . ?
C65 C66 1.388(4) . ?
C66 H66 0.9500 . ?
C66 C67 1.379(4) . ?
C67 H67 0.9500 . ?
C67 C68 1.387(4) . ?
C68 H68 0.9500 . ?
C69 H69A 0.9900 . ?
C69 H69B 0.9900 . ?
C69 C70 1.533(3) . ?
C70 C70 1.519(5) 2_666 ?
C70 H70A 0.9900 . ?
C70 H70B 0.9900 . ?
C71 H71A 0.9800 . ?
C71 H71B 0.9800 . ?
C71 H71C 0.9800 . ?
C71 C72 1.496(4) . ?
C72 H72A 0.9900 . ?
C72 H72B 0.9900 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
O1 Dy1 O7 90.75(6) . . ?
O1 Dy1 O8 88.69(7) . . ?
O1 Dy1 O9 103.95(7) . . ?
O1 Dy1 O10 81.27(7) . . ?
O1 Dy1 O11 94.35(7) . . ?
O3 Dy1 O1 174.74(6) . . ?
O3 Dy1 O7 85.47(6) . . ?
O3 Dy1 O8 93.79(7) . . ?
O3 Dy1 O9 81.23(7) . . ?
O3 Dy1 O10 99.86(7) . . ?
O3 Dy1 O11 81.12(7) . . ?
O7 Dy1 O8 74.27(7) . . ?
O7 Dy1 O9 143.35(7) . . ?
O7 Dy1 O10 145.93(7) . . ?
O7 Dy1 O11 74.51(7) . . ?
O8 Dy1 O10 137.95(7) . . ?
O9 Dy1 O8 72.74(7) . . ?
O9 Dy1 O10 70.39(7) . . ?
O9 Dy1 O11 135.75(7) . . ?
O11 Dy1 O8 148.66(7) . . ?
O11 Dy1 O10 73.17(7) . . ?
O1 P1 C1 110.42(11) . . ?
O1 P1 C17 110.32(11) . . ?
O1 P1 C23 112.46(11) . . ?
C1 P1 C17 106.89(12) . . ?
C1 P1 C23 108.52(12) . . ?
C17 P1 C23 108.04(12) . . ?
O2 P2 C4 115.12(11) . . ?
O2 P2 C5 110.24(11) . . ?
O2 P2 C11 110.38(11) . . ?
C4 P2 C11 105.14(12) . . ?
C5 P2 C4 108.39(12) . . ?
C5 P2 C11 107.18(11) . . ?
O4 P3 C44 112.57(11) . . ?
O4 P3 C45 110.88(12) . . ?
O4 P3 C51 110.88(11) . . ?
C44 P3 C45 105.74(12) . . ?
C44 P3 C51 108.49(12) . . ?
C45 P3 C51 108.05(12) . . ?
O5 P4 C29 112.35(11) . . ?
O5 P4 C35 109.86(12) . . ?
O5 P4 C41 111.48(11) . . ?
C29 P4 C35 106.26(12) . . ?
C41 P4 C29 109.14(12) . . ?
C41 P4 C35 107.51(12) . . ?
O3 P5 C57 108.81(11) . . ?
O3 P5 C63 108.84(11) . . ?
O3 P5 C69 112.58(11) . . ?
C57 P5 C63 110.00(11) . . ?
C69 P5 C57 107.89(12) . . ?
C69 P5 C63 108.70(11) . . ?
P1 O1 Dy1 169.95(11) . . ?
P5 O3 Dy1 167.63(11) . . ?
H6A O6 H6B 103(3) . . ?
Dy1 O7 H7A 118(2) . . ?
Dy1 O7 H7B 127(2) . . ?
H7A O7 H7B 110(3) . . ?
Dy1 O8 H8A 119(3) . . ?
Dy1 O8 H8B 137(2) . . ?
H8A O8 H8B 104(3) . . ?
Dy1 O9 H9A 125(2) . . ?
Dy1 O9 H9B 116(2) . . ?
H9A O9 H9B 105(3) . . ?
Dy1 O10 H10A 137(2) . . ?
Dy1 O10 H10B 112(2) . . ?
H10A O10 H10B 108(3) . . ?
Dy1 O11 H11A 130.1(19) . . ?
Dy1 O11 H11B 115(3) . . ?
H11A O11 H11B 112(3) . . ?
C72 O12 H12A 114(3) . . ?
P1 C1 H1A 109.3 . . ?
P1 C1 H1B 109.3 . . ?
H1A C1 H1B 108.0 . . ?
C2 C1 P1 111.56(17) . . ?
C2 C1 H1A 109.3 . . ?
C2 C1 H1B 109.3 . . ?
C1 C2 H2A 109.1 . . ?
C1 C2 H2B 109.1 . . ?
H2A C2 H2B 107.8 . . ?
C3 C2 C1 112.5(2) . . ?
C3 C2 H2A 109.1 . . ?
C3 C2 H2B 109.1 . . ?
C2 C3 H3A 108.9 . . ?
C2 C3 H3B 108.9 . . ?
C2 C3 C4 113.3(2) . . ?
H3A C3 H3B 107.7 . . ?
C4 C3 H3A 108.9 . . ?
C4 C3 H3B 108.9 . . ?
P2 C4 H4A 108.0 . . ?
P2 C4 H4B 108.0 . . ?
C3 C4 P2 117.13(18) . . ?
C3 C4 H4A 108.0 . . ?
C3 C4 H4B 108.0 . . ?
H4A C4 H4B 107.3 . . ?
C6 C5 P2 122.5(2) . . ?
C10 C5 P2 117.75(19) . . ?
C10 C5 C6 119.7(2) . . ?
C5 C6 H6 120.2 . . ?
C7 C6 C5 119.5(2) . . ?
C7 C6 H6 120.2 . . ?
C6 C7 H7 119.8 . . ?
C6 C7 C8 120.4(2) . . ?
C8 C7 H7 119.8 . . ?
C7 C8 H8 119.9 . . ?
C9 C8 C7 120.1(2) . . ?
C9 C8 H8 119.9 . . ?
C8 C9 H9 120.0 . . ?
C8 C9 C10 120.0(3) . . ?
C10 C9 H9 120.0 . . ?
C5 C10 H10 119.9 . . ?
C9 C10 C5 120.3(2) . . ?
C9 C10 H10 119.9 . . ?
C12 C11 P2 121.9(2) . . ?
C16 C11 P2 118.8(2) . . ?
C16 C11 C12 119.3(2) . . ?
C11 C12 H12 120.0 . . ?
C13 C12 C11 120.1(3) . . ?
C13 C12 H12 120.0 . . ?
C12 C13 H13 119.9 . . ?
C14 C13 C12 120.2(3) . . ?
C14 C13 H13 119.9 . . ?
C13 C14 H14 120.0 . . ?
C13 C14 C15 120.0(3) . . ?
C15 C14 H14 120.0 . . ?
C14 C15 H15 119.9 . . ?
C14 C15 C16 120.2(3) . . ?
C16 C15 H15 119.9 . . ?
C11 C16 H16 119.9 . . ?
C15 C16 C11 120.2(3) . . ?
C15 C16 H16 119.9 . . ?
C18 C17 P1 120.89(19) . . ?
C18 C17 C22 120.1(2) . . ?
C22 C17 P1 118.83(19) . . ?
C17 C18 H18 120.3 . . ?
C19 C18 C17 119.5(2) . . ?
C19 C18 H18 120.3 . . ?
C18 C19 H19 119.9 . . ?
C18 C19 C20 120.3(3) . . ?
C20 C19 H19 119.9 . . ?
C19 C20 H20 119.8 . . ?
C21 C20 C19 120.3(3) . . ?
C21 C20 H20 119.8 . . ?
C20 C21 H21 119.6 . . ?
C20 C21 C22 120.7(2) . . ?
C22 C21 H21 119.6 . . ?
C17 C22 H22 120.5 . . ?
C21 C22 C17 119.1(2) . . ?
C21 C22 H22 120.5 . . ?
C24 C23 P1 118.91(19) . . ?
C24 C23 C28 119.8(2) . . ?
C28 C23 P1 121.2(2) . . ?
C23 C24 H24 119.9 . . ?
C23 C24 C25 120.2(2) . . ?
C25 C24 H24 119.9 . . ?
C24 C25 H25 120.2 . . ?
C26 C25 C24 119.5(3) . . ?
C26 C25 H25 120.2 . . ?
C25 C26 H26 119.7 . . ?
C27 C26 C25 120.6(3) . . ?
C27 C26 H26 119.7 . . ?
C26 C27 H27 119.9 . . ?
C26 C27 C28 120.2(3) . . ?
C28 C27 H27 119.9 . . ?
C23 C28 H28 120.2 . . ?
C27 C28 C23 119.6(3) . . ?
C27 C28 H28 120.2 . . ?
C30 C29 P4 123.1(2) . . ?
C30 C29 C34 118.7(3) . . ?
C34 C29 P4 118.1(2) . . ?
C29 C30 H30 120.0 . . ?
C31 C30 C29 119.9(3) . . ?
C31 C30 H30 120.0 . . ?
C30 C31 H31 119.7 . . ?
C32 C31 C30 120.7(3) . . ?
C32 C31 H31 119.7 . . ?
C31 C32 H32 120.0 . . ?
C31 C32 C33 119.9(3) . . ?
C33 C32 H32 120.0 . . ?
C32 C33 H33 120.1 . . ?
C34 C33 C32 119.7(3) . . ?
C34 C33 H33 120.1 . . ?
C29 C34 H34 119.5 . . ?
C33 C34 C29 121.0(3) . . ?
C33 C34 H34 119.5 . . ?
C36 C35 P4 120.6(2) . . ?
C40 C35 P4 120.1(2) . . ?
C40 C35 C36 119.4(3) . . ?
C35 C36 H36 119.8 . . ?
C37 C36 C35 120.3(3) . . ?
C37 C36 H36 119.8 . . ?
C36 C37 H37 119.9 . . ?
C38 C37 C36 120.2(3) . . ?
C38 C37 H37 119.9 . . ?
C37 C38 H38 119.7 . . ?
C37 C38 C39 120.6(3) . . ?
C39 C38 H38 119.7 . . ?
C38 C39 H39 120.1 . . ?
C38 C39 C40 119.8(3) . . ?
C40 C39 H39 120.1 . . ?
C35 C40 C39 119.8(3) . . ?
C35 C40 H40 120.1 . . ?
C39 C40 H40 120.1 . . ?
P4 C41 H41A 109.7 . . ?
P4 C41 H41B 109.7 . . ?
H41A C41 H41B 108.2 . . ?
C42 C41 P4 109.81(17) . . ?
C42 C41 H41A 109.7 . . ?
C42 C41 H41B 109.7 . . ?
C41 C42 H42A 109.1 . . ?
C41 C42 H42B 109.1 . . ?
H42A C42 H42B 107.9 . . ?
C43 C42 C41 112.3(2) . . ?
C43 C42 H42A 109.1 . . ?
C43 C42 H42B 109.1 . . ?
C42 C43 H43A 109.4 . . ?
C42 C43 H43B 109.4 . . ?
C42 C43 C44 111.2(2) . . ?
H43A C43 H43B 108.0 . . ?
C44 C43 H43A 109.4 . . ?
C44 C43 H43B 109.4 . . ?
P3 C44 H44A 109.4 . . ?
P3 C44 H44B 109.4 . . ?
C43 C44 P3 110.96(17) . . ?
C43 C44 H44A 109.4 . . ?
C43 C44 H44B 109.4 . . ?
H44A C44 H44B 108.0 . . ?
C46 C45 P3 119.0(2) . . ?
C46 C45 C50 119.1(3) . . ?
C50 C45 P3 121.8(2) . . ?
C45 C46 H46 119.9 . . ?
C45 C46 C47 120.2(3) . . ?
C47 C46 H46 119.9 . . ?
C46 C47 H47 119.8 . . ?
C48 C47 C46 120.4(3) . . ?
C48 C47 H47 119.8 . . ?
C47 C48 H48 119.9 . . ?
C47 C48 C49 120.1(3) . . ?
C49 C48 H48 119.9 . . ?
C48 C49 H49 120.0 . . ?
C48 C49 C50 120.1(3) . . ?
C50 C49 H49 120.0 . . ?
C45 C50 H50 120.0 . . ?
C49 C50 C45 120.1(3) . . ?
C49 C50 H50 120.0 . . ?
C52 C51 P3 117.6(2) . . ?
C56 C51 P3 123.2(2) . . ?
C56 C51 C52 118.9(3) . . ?
C51 C52 H52 119.9 . . ?
C53 C52 C51 120.2(3) . . ?
C53 C52 H52 119.9 . . ?
C52 C53 H53 119.8 . . ?
C54 C53 C52 120.5(3) . . ?
C54 C53 H53 119.8 . . ?
C53 C54 H54 120.2 . . ?
C53 C54 C55 119.6(3) . . ?
C55 C54 H54 120.2 . . ?
C54 C55 H55 119.8 . . ?
C54 C55 C56 120.5(3) . . ?
C56 C55 H55 119.8 . . ?
C51 C56 H56 119.8 . . ?
C55 C56 C51 120.3(3) . . ?
C55 C56 H56 119.8 . . ?
C58 C57 P5 117.71(19) . . ?
C62 C57 P5 122.69(19) . . ?
C62 C57 C58 119.5(2) . . ?
C57 C58 H58 119.9 . . ?
C59 C58 C57 120.3(2) . . ?
C59 C58 H58 119.9 . . ?
C58 C59 H59 120.1 . . ?
C58 C59 C60 119.8(2) . . ?
C60 C59 H59 120.1 . . ?
C59 C60 H60 119.9 . . ?
C61 C60 C59 120.3(3) . . ?
C61 C60 H60 119.9 . . ?
C60 C61 H61 119.8 . . ?
C60 C61 C62 120.4(3) . . ?
C62 C61 H61 119.8 . . ?
C57 C62 H62 120.2 . . ?
C61 C62 C57 119.7(2) . . ?
C61 C62 H62 120.2 . . ?
C64 C63 P5 119.00(19) . . ?
C64 C63 C68 119.9(2) . . ?
C68 C63 P5 121.05(19) . . ?
C63 C64 H64 119.9 . . ?
C65 C64 C63 120.1(2) . . ?
C65 C64 H64 119.9 . . ?
C64 C65 H65 120.1 . . ?
C64 C65 C66 119.7(2) . . ?
C66 C65 H65 120.1 . . ?
C65 C66 H66 119.8 . . ?
C67 C66 C65 120.4(2) . . ?
C67 C66 H66 119.8 . . ?
C66 C67 H67 119.9 . . ?
C66 C67 C68 120.2(3) . . ?
C68 C67 H67 119.9 . . ?
C63 C68 H68 120.2 . . ?
C67 C68 C63 119.6(3) . . ?
C67 C68 H68 120.2 . . ?
P5 C69 H69A 109.1 . . ?
P5 C69 H69B 109.1 . . ?
H69A C69 H69B 107.8 . . ?
C70 C69 P5 112.62(16) . . ?
C70 C69 H69A 109.1 . . ?
C70 C69 H69B 109.1 . . ?
C69 C70 H70A 109.2 . . ?
C69 C70 H70B 109.2 . . ?
C70 C70 C69 111.9(3) 2_666 . ?
C70 C70 H70A 109.2 2_666 . ?
C70 C70 H70B 109.2 2_666 . ?
H70A C70 H70B 107.9 . . ?
H71A C71 H71B 109.5 . . ?
H71A C71 H71C 109.5 . . ?
H71B C71 H71C 109.5 . . ?
C72 C71 H71A 109.5 . . ?
C72 C71 H71B 109.5 . . ?
C72 C71 H71C 109.5 . . ?
O12 C72 C71 111.6(3) . . ?
O12 C72 H72A 109.3 . . ?
O12 C72 H72B 109.3 . . ?
C71 C72 H72A 109.3 . . ?
C71 C72 H72B 109.3 . . ?
H72A C72 H72B 108.0 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
P1 C1 C2 C3 178.17(19) . . . . ?
P1 C17 C18 C19 176.2(2) . . . . ?
P1 C17 C22 C21 -175.30(19) . . . . ?
P1 C23 C24 C25 -179.0(2) . . . . ?
P1 C23 C28 C27 179.2(2) . . . . ?
P2 C5 C6 C7 -178.41(19) . . . . ?
P2 C5 C10 C9 177.57(19) . . . . ?
P2 C11 C12 C13 178.4(2) . . . . ?
P2 C11 C16 C15 -178.5(3) . . . . ?
P3 C45 C46 C47 177.3(3) . . . . ?
P3 C45 C50 C49 -176.8(2) . . . . ?
P3 C51 C52 C53 -175.1(2) . . . . ?
P3 C51 C56 C55 174.3(2) . . . . ?
P4 C29 C30 C31 177.5(3) . . . . ?
P4 C29 C34 C33 -176.9(2) . . . . ?
P4 C35 C36 C37 -179.1(2) . . . . ?
P4 C35 C40 C39 179.2(2) . . . . ?
P4 C41 C42 C43 170.16(18) . . . . ?
P5 C57 C58 C59 177.10(19) . . . . ?
P5 C57 C62 C61 -176.4(2) . . . . ?
P5 C63 C64 C65 178.4(2) . . . . ?
P5 C63 C68 C67 -179.1(2) . . . . ?
P5 C69 C70 C70 -179.4(2) . . . 2_666 ?
O1 P1 C1 C2 47.5(2) . . . . ?
O1 P1 C17 C18 144.8(2) . . . . ?
O1 P1 C17 C22 -39.8(2) . . . . ?
O1 P1 C23 C24 -44.5(2) . . . . ?
O1 P1 C23 C28 137.1(2) . . . . ?
O2 P2 C4 C3 68.5(2) . . . . ?
O2 P2 C5 C6 -157.5(2) . . . . ?
O2 P2 C5 C10 24.1(2) . . . . ?
O2 P2 C11 C12 167.7(2) . . . . ?
O2 P2 C11 C16 -14.3(3) . . . . ?
O3 P5 C57 C58 -24.8(2) . . . . ?
O3 P5 C57 C62 152.4(2) . . . . ?
O3 P5 C63 C64 12.8(2) . . . . ?
O3 P5 C63 C68 -168.4(2) . . . . ?
O3 P5 C69 C70 -60.7(2) . . . . ?
O4 P3 C44 C43 -52.8(2) . . . . ?
O4 P3 C45 C46 3.1(3) . . . . ?
O4 P3 C45 C50 179.9(2) . . . . ?
O4 P3 C51 C52 56.6(2) . . . . ?
O4 P3 C51 C56 -117.4(2) . . . . ?
O5 P4 C29 C30 141.1(2) . . . . ?
O5 P4 C29 C34 -41.0(2) . . . . ?
O5 P4 C35 C36 178.4(2) . . . . ?
O5 P4 C35 C40 -0.8(2) . . . . ?
O5 P4 C41 C42 39.8(2) . . . . ?
C1 P1 O1 Dy1 -129.5(6) . . . . ?
C1 P1 C17 C18 -95.1(2) . . . . ?
C1 P1 C17 C22 80.3(2) . . . . ?
C1 P1 C23 C24 -166.9(2) . . . . ?
C1 P1 C23 C28 14.7(3) . . . . ?
C1 C2 C3 C4 -179.5(2) . . . . ?
C2 C3 C4 P2 -68.8(3) . . . . ?
C4 P2 C5 C6 -30.6(2) . . . . ?
C4 P2 C5 C10 150.9(2) . . . . ?
C4 P2 C11 C12 43.0(2) . . . . ?
C4 P2 C11 C16 -139.0(2) . . . . ?
C5 P2 C4 C3 -55.5(2) . . . . ?
C5 P2 C11 C12 -72.2(2) . . . . ?
C5 P2 C11 C16 105.8(2) . . . . ?
C5 C6 C7 C8 0.8(4) . . . . ?
C6 C5 C10 C9 -0.9(4) . . . . ?
C6 C7 C8 C9 -0.7(4) . . . . ?
C7 C8 C9 C10 -0.2(4) . . . . ?
C8 C9 C10 C5 1.0(4) . . . . ?
C10 C5 C6 C7 0.0(4) . . . . ?
C11 P2 C4 C3 -169.86(19) . . . . ?
C11 P2 C5 C6 82.4(2) . . . . ?
C11 P2 C5 C10 -96.1(2) . . . . ?
C11 C12 C13 C14 0.0(4) . . . . ?
C12 C11 C16 C15 -0.5(4) . . . . ?
C12 C13 C14 C15 -0.3(5) . . . . ?
C13 C14 C15 C16 0.3(5) . . . . ?
C14 C15 C16 C11 0.1(5) . . . . ?
C16 C11 C12 C13 0.4(4) . . . . ?
C17 P1 O1 Dy1 -11.5(7) . . . . ?
C17 P1 C1 C2 -72.5(2) . . . . ?
C17 P1 C23 C24 77.5(2) . . . . ?
C17 P1 C23 C28 -100.9(2) . . . . ?
C17 C18 C19 C20 -0.8(4) . . . . ?
C18 C17 C22 C21 0.1(4) . . . . ?
C18 C19 C20 C21 -0.3(4) . . . . ?
C19 C20 C21 C22 1.4(4) . . . . ?
C20 C21 C22 C17 -1.3(4) . . . . ?
C22 C17 C18 C19 0.9(4) . . . . ?
C23 P1 O1 Dy1 109.2(6) . . . . ?
C23 P1 C1 C2 171.21(19) . . . . ?
C23 P1 C17 C18 21.5(2) . . . . ?
C23 P1 C17 C22 -163.13(19) . . . . ?
C23 C24 C25 C26 -0.1(4) . . . . ?
C24 C23 C28 C27 0.8(4) . . . . ?
C24 C25 C26 C27 0.4(4) . . . . ?
C25 C26 C27 C28 -0.2(5) . . . . ?
C26 C27 C28 C23 -0.4(5) . . . . ?
C28 C23 C24 C25 -0.5(4) . . . . ?
C29 P4 C35 C36 56.7(2) . . . . ?
C29 P4 C35 C40 -122.6(2) . . . . ?
C29 P4 C41 C42 164.45(18) . . . . ?
C29 C30 C31 C32 -0.6(5) . . . . ?
C30 C29 C34 C33 1.1(4) . . . . ?
C30 C31 C32 C33 0.8(6) . . . . ?
C31 C32 C33 C34 0.0(5) . . . . ?
C32 C33 C34 C29 -0.9(4) . . . . ?
C34 C29 C30 C31 -0.3(5) . . . . ?
C35 P4 C29 C30 -98.7(3) . . . . ?
C35 P4 C29 C34 79.2(2) . . . . ?
C35 P4 C41 C42 -80.7(2) . . . . ?
C35 C36 C37 C38 0.3(4) . . . . ?
C36 C35 C40 C39 0.0(4) . . . . ?
C36 C37 C38 C39 -0.9(4) . . . . ?
C37 C38 C39 C40 0.9(4) . . . . ?
C38 C39 C40 C35 -0.5(4) . . . . ?
C40 C35 C36 C37 0.1(4) . . . . ?
C41 P4 C29 C30 17.0(3) . . . . ?
C41 P4 C29 C34 -165.1(2) . . . . ?
C41 P4 C35 C36 -60.1(2) . . . . ?
C41 P4 C35 C40 120.7(2) . . . . ?
C41 C42 C43 C44 -175.5(2) . . . . ?
C42 C43 C44 P3 -175.14(18) . . . . ?
C44 P3 C45 C46 -119.2(2) . . . . ?
C44 P3 C45 C50 57.6(3) . . . . ?
C44 P3 C51 C52 -179.3(2) . . . . ?
C44 P3 C51 C56 6.7(3) . . . . ?
C45 P3 C44 C43 68.4(2) . . . . ?
C45 P3 C51 C52 -65.1(2) . . . . ?
C45 P3 C51 C56 120.9(2) . . . . ?
C45 C46 C47 C48 -0.2(6) . . . . ?
C46 C45 C50 C49 0.0(4) . . . . ?
C46 C47 C48 C49 -0.2(6) . . . . ?
C47 C48 C49 C50 0.6(6) . . . . ?
C48 C49 C50 C45 -0.5(5) . . . . ?
C50 C45 C46 C47 0.4(5) . . . . ?
C51 P3 C44 C43 -175.92(18) . . . . ?
C51 P3 C45 C46 124.7(2) . . . . ?
C51 P3 C45 C50 -58.4(3) . . . . ?
C51 C52 C53 C54 0.4(4) . . . . ?
C52 C51 C56 C55 0.4(4) . . . . ?
C52 C53 C54 C55 0.4(4) . . . . ?
C53 C54 C55 C56 -0.8(5) . . . . ?
C54 C55 C56 C51 0.4(5) . . . . ?
C56 C51 C52 C53 -0.8(4) . . . . ?
C57 P5 O3 Dy1 -129.6(5) . . . . ?
C57 P5 C63 C64 -106.3(2) . . . . ?
C57 P5 C63 C68 72.5(2) . . . . ?
C57 P5 C69 C70 59.3(2) . . . . ?
C57 C58 C59 C60 -0.5(4) . . . . ?
C58 C57 C62 C61 0.7(4) . . . . ?
C58 C59 C60 C61 0.7(4) . . . . ?
C59 C60 C61 C62 -0.2(4) . . . . ?
C60 C61 C62 C57 -0.6(4) . . . . ?
C62 C57 C58 C59 -0.2(4) . . . . ?
C63 P5 O3 Dy1 110.5(5) . . . . ?
C63 P5 C57 C58 94.3(2) . . . . ?
C63 P5 C57 C62 -88.5(2) . . . . ?
C63 P5 C69 C70 178.60(18) . . . . ?
C63 C64 C65 C66 0.8(4) . . . . ?
C64 C63 C68 C67 -0.3(4) . . . . ?
C64 C65 C66 C67 -0.4(4) . . . . ?
C65 C66 C67 C68 -0.4(4) . . . . ?
C66 C67 C68 C63 0.7(4) . . . . ?
C68 C63 C64 C65 -0.5(4) . . . . ?
C69 P5 O3 Dy1 -10.0(5) . . . . ?
C69 P5 C57 C58 -147.27(19) . . . . ?
C69 P5 C57 C62 29.9(2) . . . . ?
C69 P5 C63 C64 135.8(2) . . . . ?
C69 P5 C63 C68 -45.4(2) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_DyChain
_database_code_depnum_ccdc_archive 'CCDC 2063603'
loop_
_audit_author_name
_audit_author_address
'Qu YunXia'
;Sun YatSen University
China
;
_audit_update_record             
;
2021-07-12 deposited with the CCDC.	2022-04-13 downloaded from the CCDC.
;
_audit_creation_date             2021-07-12
_audit_creation_method           
;
Olex2 1.3
(compiled 2020.11.12 svn.r5f609507 for OlexSys, GUI svn.r6272)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         
'C28 H38 Dy O7 P2, 3(I), 2(C18 H15 O P), 0.5(C2 H6 O), 0.5(H2 O)'
_chemical_formula_sum            'C65 H72 Dy I3 O10 P4'
_chemical_formula_weight         1680.30
_chemical_absolute_configuration ?
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Dy Dy -0.1892 4.4098 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
I I -0.4742 1.8119 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           4
_space_group_name_H-M_alt        'P 1 21 1'
_space_group_name_Hall           'P 2yb'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z'

_cell_length_a                   10.2644(5)
_cell_length_b                   23.3768(11)
_cell_length_c                   15.1012(7)
_cell_angle_alpha                90
_cell_angle_beta                 103.623(2)
_cell_angle_gamma                90
_cell_volume                     3521.6(3)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    9715
_cell_measurement_temperature    120(2)
_cell_measurement_theta_max      27.476
_cell_measurement_theta_min      2.349
_shelx_estimated_absorpt_T_max   0.814
_shelx_estimated_absorpt_T_min   0.590
_exptl_absorpt_coefficient_mu    2.519
_exptl_absorpt_correction_T_max  0.7456
_exptl_absorpt_correction_T_min  0.4770
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2014/5 (Bruker,2014/5) was used for absorption correction.
wR2(int) was 0.1433 before and 0.0790 after correction.
The Ratio of minimum to maximum transmission is 0.6398.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.585
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       BLOCK
_exptl_crystal_F_000             1654
_exptl_crystal_size_max          0.234
_exptl_crystal_size_mid          0.118
_exptl_crystal_size_min          0.085
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0451
_diffrn_reflns_av_unetI/netI     0.0387
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.995
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       30
_diffrn_reflns_limit_k_min       -30
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            77697
_diffrn_reflns_point_group_measured_fraction_full 0.995
_diffrn_reflns_point_group_measured_fraction_max 0.990
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.538
_diffrn_reflns_theta_min         2.220
_diffrn_ambient_temperature      120.0
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type  'Bruker D8 QUEST'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_source_current           1.0
_diffrn_source_power             0.05
_diffrn_source_voltage           50.0
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.941
_reflns_Friedel_fraction_full    0.991
_reflns_Friedel_fraction_max     0.984
_reflns_number_gt                15583
_reflns_number_total             16091
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences. Completness statistics refer to single and
 composite reflections containing twin component 1 only.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT v8.37A (Bruker, 2015)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT v8.37A (Bruker, 2015)'
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_refine_diff_density_max         1.788
_refine_diff_density_min         -0.886
_refine_diff_density_rms         0.093
_refine_ls_abs_structure_details 
;
 Refined as an inversion twin.
;
_refine_ls_abs_structure_Flack   0.025(7)
_refine_ls_extinction_coef       0.00280(17)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     'SHELXL-2018/3 (Sheldrick 2018)'
_refine_ls_goodness_of_fit_ref   1.043
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     756
_refine_ls_number_reflns         16091
_refine_ls_number_restraints     27
_refine_ls_R_factor_all          0.0257
_refine_ls_R_factor_gt           0.0242
_refine_ls_restrained_S_all      1.045
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0248P)²+2.6896P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0591
_refine_ls_wR_factor_ref         0.0596
_refine_special_details          
;
 Refined as a 2-component inversion twin.
;
_olex2_refinement_description    
;
1. Twinned data refinement
 Scales: 0.975(7)
 0.025(7)
2. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups, All O(H) groups, All O(H,H) groups
3. Restrained distances
 C65-O10
 1.42 with sigma of 0.005
 C65-C66
 1.51 with sigma of 0.02
4. Uiso/Uaniso restraints and constraints
O10 \\sim C65 \\sim C66: within 1.7A with sigma of 0.01 and sigma for terminal
atoms of 0.02 within 1.7A
Uanis(O10) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(C66) \\sim Ueq: with sigma of 0.002 and sigma for terminal atoms of 0.004
5. Others
 Sof(I3B)=1-FVAR(1)
 Sof(I3A)=FVAR(1)
 Fixed Sof: O10(0.5) H10A(0.5) C65(0.5) H65A(0.5) H65B(0.5) C66(0.5) H66A(0.5)
 H66B(0.5) H66C(0.5) O11(0.5) H11A(0.5) H11B(0.5)
6.a Riding coordinates:
 O1(H1A,H1B), O2(H2A,H2B), O3(H3A,H3B), O4(H4A,H4B), O10(H10A), O11(H11A,H11B)
6.b Rotating group:
 O5(H5A,H5B)
6.c Secondary CH2 refined with riding coordinates:
 C13(H13A,H13B), C14(H14A,H14B), C15(H15A,H15B), C16(H16A,H16B), C65(H65A,H65B)
6.d Aromatic/amide H refined with riding coordinates:
 C2(H2), C3(H3), C4(H4), C5(H5), C6(H6), C8(H8), C9(H9), C10(H10), C11(H11),
 C12(H12), C18(H18), C19(H19), C20(H20), C21(H21), C22(H22), C24(H24), C28(H28),
  C27(H27), C26(H26), C25(H25), C30(H30), C31(H31), C32(H32), C33(H33),
 C34(H34), C36(H36), C37(H37), C38(H38), C39(H39), C40(H40), C42(H42), C43(H43),
  C44(H44), C45(H45), C46(H46), C48(H48), C49(H49), C50(H50), C51(H51),
 C52(H52), C58(H58), C57(H57), C56(H56), C55(H55), C54(H54), C60(H60), C61(H61),
  C62(H62), C63(H63), C64(H64)
6.e Fitted hexagon refined as free rotating group:
 C24(C23,C28,C27,C26,C25), C53(C58,C57,C56,C55,C54)
6.f Idealised Me refined as rotating group:
 C66(H66A,H66B,H66C)
;
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Dy1 Dy -0.03059(2) 0.48952(2) 0.16128(2) 0.01227(6) Uani 1 1 d . . . . .
P1 P 0.22545(11) 0.39365(5) 0.10778(9) 0.0168(2) Uani 1 1 d . . . . .
P6 P 0.71329(11) 0.59788(5) 0.18560(8) 0.0138(2) Uani 1 1 d . . . . .
O1 O 0.0420(4) 0.54488(16) 0.0532(2) 0.0229(8) Uani 1 1 d . . . . .
H1A H 0.047463 0.531419 -0.001276 0.034 Uiso 1 1 d R U . . .
H1B H 0.093463 0.576499 0.060984 0.034 Uiso 1 1 d R U . . .
O2 O 0.1398(3) 0.54963(15) 0.2439(2) 0.0200(7) Uani 1 1 d . . . . .
H2A H 0.190211 0.541615 0.297705 0.030 Uiso 1 1 d R U . . .
H2B H 0.161101 0.584845 0.235715 0.030 Uiso 1 1 d R U . . .
O3 O 0.0276(3) 0.45716(15) 0.3144(2) 0.0191(7) Uani 1 1 d . . . . .
H3A H 0.109893 0.456045 0.347345 0.029 Uiso 1 1 d R U . . .
H3B H -0.007227 0.424695 0.325815 0.029 Uiso 1 1 d R U . . .
O4 O -0.1771(4) 0.41319(16) 0.1783(2) 0.0221(8) Uani 1 1 d . . . . .
H4A H -0.175268 0.392647 0.227161 0.033 Uiso 1 1 d R U . . .
H4B H -0.244808 0.399457 0.137121 0.033 Uiso 1 1 d R U . . .
O5 O -0.1755(4) 0.47173(15) 0.0176(2) 0.0227(8) Uani 1 1 d . . . . .
H5A H -0.165124 0.488734 -0.032247 0.034 Uiso 1 1 d R U . . .
H5B H -0.236763 0.445443 -0.002417 0.034 Uiso 1 1 d R U . . .
O6 O 0.1099(3) 0.42362(15) 0.1349(2) 0.0196(7) Uani 1 1 d . . . . .
O7 O 0.8227(3) 0.55491(15) 0.1826(2) 0.0169(7) Uani 1 1 d . . . . .
C1 C 0.1634(5) 0.3455(2) 0.0152(4) 0.0193(10) Uani 1 1 d . . . . .
C2 C 0.0284(5) 0.3290(2) -0.0021(4) 0.0262(11) Uani 1 1 d . . . . .
H2 H -0.028223 0.343362 0.034199 0.031 Uiso 1 1 calc R U . . .
C3 C -0.0218(5) 0.2910(3) -0.0736(4) 0.0312(12) Uani 1 1 d . . . . .
H3 H -0.113121 0.279599 -0.085754 0.037 Uiso 1 1 calc R U . . .
C4 C 0.0592(6) 0.2700(2) -0.1263(4) 0.0294(12) Uani 1 1 d . . . . .
H4 H 0.024046 0.244176 -0.174564 0.035 Uiso 1 1 calc R U . . .
C5 C 0.1930(6) 0.2867(3) -0.1091(4) 0.0324(13) Uani 1 1 d . . . . .
H5 H 0.249129 0.272182 -0.145701 0.039 Uiso 1 1 calc R U . . .
C6 C 0.2447(5) 0.3243(3) -0.0387(4) 0.0286(11) Uani 1 1 d . . . . .
H6 H 0.336076 0.335541 -0.027264 0.034 Uiso 1 1 calc R U . . .
C7 C 0.3216(5) 0.3557(2) 0.2053(3) 0.0203(9) Uani 1 1 d . . . . .
C8 C 0.2635(5) 0.3444(2) 0.2781(4) 0.0277(11) Uani 1 1 d . . . . .
H8 H 0.172324 0.354170 0.273618 0.033 Uiso 1 1 calc R U . . .
C9 C 0.3375(6) 0.3191(3) 0.3568(4) 0.0369(13) Uani 1 1 d . . . . .
H9 H 0.298051 0.312581 0.406868 0.044 Uiso 1 1 calc R U . . .
C10 C 0.4700(7) 0.3033(3) 0.3624(5) 0.0402(15) Uani 1 1 d . . . . .
H10 H 0.521096 0.285709 0.416146 0.048 Uiso 1 1 calc R U . . .
C11 C 0.5275(6) 0.3133(3) 0.2885(5) 0.0370(14) Uani 1 1 d . . . . .
H11 H 0.617734 0.302404 0.292005 0.044 Uiso 1 1 calc R U . . .
C12 C 0.4532(5) 0.3392(2) 0.2105(4) 0.0264(11) Uani 1 1 d . . . . .
H12 H 0.492275 0.345668 0.160255 0.032 Uiso 1 1 calc R U . . .
C13 C 0.3374(5) 0.4432(2) 0.0741(3) 0.0196(10) Uani 1 1 d . . . . .
H13A H 0.413211 0.421873 0.059665 0.024 Uiso 1 1 calc R U . . .
H13B H 0.289678 0.463226 0.018044 0.024 Uiso 1 1 calc R U . . .
C14 C 0.3921(4) 0.4873(3) 0.1482(3) 0.0221(9) Uani 1 1 d . . . . .
H14A H 0.321906 0.516231 0.149081 0.027 Uiso 1 1 calc R U . . .
H14B H 0.413853 0.468029 0.208250 0.027 Uiso 1 1 calc R U . . .
C15 C 0.5165(5) 0.5172(2) 0.1335(4) 0.0235(11) Uani 1 1 d . . . . .
H15A H 0.496747 0.533797 0.071423 0.028 Uiso 1 1 calc R U . . .
H15B H 0.589041 0.488717 0.137638 0.028 Uiso 1 1 calc R U . . .
C16 C 0.5642(5) 0.5643(2) 0.2027(3) 0.0181(9) Uani 1 1 d . . . . .
H16A H 0.582189 0.547984 0.264881 0.022 Uiso 1 1 calc R U . . .
H16B H 0.492684 0.593399 0.197552 0.022 Uiso 1 1 calc R U . . .
C17 C 0.7717(5) 0.6479(2) 0.2765(3) 0.0171(9) Uani 1 1 d . . . . .
C18 C 0.6835(5) 0.6742(2) 0.3208(3) 0.0239(11) Uani 1 1 d . . . . .
H18 H 0.590398 0.665905 0.303315 0.029 Uiso 1 1 calc R U . . .
C19 C 0.7326(6) 0.7128(3) 0.3911(4) 0.0325(13) Uani 1 1 d . . . . .
H19 H 0.672826 0.730897 0.421793 0.039 Uiso 1 1 calc R U . . .
C20 C 0.8682(6) 0.7248(3) 0.4162(4) 0.0321(13) Uani 1 1 d . . . . .
H20 H 0.901914 0.750547 0.464854 0.039 Uiso 1 1 calc R U . . .
C21 C 0.9546(6) 0.6994(3) 0.3707(4) 0.0309(12) Uani 1 1 d . . . . .
H21 H 1.047340 0.708605 0.386684 0.037 Uiso 1 1 calc R U . . .
C22 C 0.9066(5) 0.6607(2) 0.3019(4) 0.0246(11) Uani 1 1 d . . . . .
H22 H 0.966897 0.642627 0.271646 0.030 Uiso 1 1 calc R U . . .
C24 C 0.5597(4) 0.67435(18) 0.0641(3) 0.0409(15) Uani 1 1 d G . . . .
H24 H 0.511328 0.680583 0.109698 0.049 Uiso 1 1 calc R U . . .
C23 C 0.6660(4) 0.63595(16) 0.0797(2) 0.0232(11) Uani 1 1 d G . . . .
C28 C 0.7367(4) 0.62682(18) 0.0129(3) 0.0403(15) Uani 1 1 d G . . . .
H28 H 0.809437 0.600576 0.023585 0.048 Uiso 1 1 calc R U . . .
C27 C 0.7011(6) 0.6561(2) -0.0693(2) 0.060(2) Uani 1 1 d G . . . .
H27 H 0.749445 0.649863 -0.114935 0.072 Uiso 1 1 calc R U . . .
C26 C 0.5947(6) 0.69450(19) -0.0849(2) 0.066(3) Uani 1 1 d G . . . .
H26 H 0.570394 0.714510 -0.141139 0.079 Uiso 1 1 calc R U . . .
C25 C 0.5240(5) 0.70363(18) -0.0182(3) 0.064(3) Uani 1 1 d G . . . .
H25 H 0.451334 0.729871 -0.028824 0.077 Uiso 1 1 calc R U . . .
I3B I 0.2771(2) 0.68312(11) 0.2395(6) 0.0242(8) Uani 0.460(15) 1 d . . P A 2
I1 I -0.06985(3) 0.32153(2) 0.36420(2) 0.02237(8) Uani 1 1 d . . . . .
I2 I -0.36447(3) 0.35180(2) -0.01993(3) 0.02943(9) Uani 1 1 d . . . . .
I3A I 0.28816(18) 0.68757(6) 0.2764(5) 0.0250(5) Uani 0.540(15) 1 d . . P A 1
P3 P -0.02458(14) 0.50998(6) -0.20205(8) 0.0221(3) Uani 1 1 d . . . . .
O9 O -0.0766(4) 0.5122(2) -0.1163(2) 0.0333(9) Uani 1 1 d . . . . .
C29 C -0.0840(6) 0.4484(2) -0.2704(4) 0.0272(11) Uani 1 1 d . . . . .
C30 C -0.1243(7) 0.4000(3) -0.2299(5) 0.0417(16) Uani 1 1 d . . . . .
H30 H -0.122356 0.400162 -0.166741 0.050 Uiso 1 1 calc R U . . .
C31 C -0.1668(7) 0.3521(3) -0.2815(5) 0.0499(19) Uani 1 1 d . . . . .
H31 H -0.197513 0.319673 -0.254320 0.060 Uiso 1 1 calc R U . . .
C32 C -0.1649(7) 0.3509(3) -0.3727(5) 0.0481(19) Uani 1 1 d . . . . .
H32 H -0.191086 0.317223 -0.407544 0.058 Uiso 1 1 calc R U . . .
C33 C -0.1247(7) 0.3991(3) -0.4137(4) 0.0406(15) Uani 1 1 d . . . . .
H33 H -0.124693 0.398417 -0.476620 0.049 Uiso 1 1 calc R U . . .
C34 C -0.0849(6) 0.4478(3) -0.3629(4) 0.0322(13) Uani 1 1 d . . . . .
H34 H -0.058292 0.480784 -0.390858 0.039 Uiso 1 1 calc R U . . .
C35 C -0.0768(5) 0.5728(2) -0.2697(3) 0.0219(10) Uani 1 1 d . . . . .
C36 C -0.2055(6) 0.5938(3) -0.2728(4) 0.0313(12) Uani 1 1 d . . . . .
H36 H -0.262657 0.573527 -0.242706 0.038 Uiso 1 1 calc R U . . .
C37 C -0.2506(7) 0.6439(3) -0.3194(4) 0.0390(14) Uani 1 1 d . . . . .
H37 H -0.338272 0.657772 -0.321761 0.047 Uiso 1 1 calc R U . . .
C38 C -0.1652(7) 0.6734(3) -0.3627(5) 0.0412(15) Uani 1 1 d . . . . .
H38 H -0.194065 0.708472 -0.392760 0.049 Uiso 1 1 calc R U . . .
C39 C -0.0393(7) 0.6525(3) -0.3624(5) 0.0388(15) Uani 1 1 d . . . . .
H39 H 0.016970 0.672518 -0.393587 0.047 Uiso 1 1 calc R U . . .
C40 C 0.0050(6) 0.6018(2) -0.3163(4) 0.0280(11) Uani 1 1 d . . . . .
H40 H 0.091061 0.587023 -0.316694 0.034 Uiso 1 1 calc R U . . .
C41 C 0.1563(6) 0.5083(2) -0.1751(3) 0.0263(11) Uani 1 1 d . . . . .
C42 C 0.2253(6) 0.5553(3) -0.1303(4) 0.0315(12) Uani 1 1 d . . . . .
H42 H 0.177356 0.587857 -0.117892 0.038 Uiso 1 1 calc R U . . .
C43 C 0.3639(6) 0.5544(3) -0.1040(4) 0.0361(14) Uani 1 1 d . . . . .
H43 H 0.410548 0.586681 -0.073884 0.043 Uiso 1 1 calc R U . . .
C44 C 0.4353(6) 0.5073(3) -0.1209(4) 0.0418(17) Uani 1 1 d . . . . .
H44 H 0.530386 0.506935 -0.102677 0.050 Uiso 1 1 calc R U . . .
C45 C 0.3660(7) 0.4602(3) -0.1650(4) 0.0397(15) Uani 1 1 d . . . . .
H45 H 0.414429 0.427569 -0.176714 0.048 Uiso 1 1 calc R U . . .
C46 C 0.2269(6) 0.4604(3) -0.1921(4) 0.0313(12) Uani 1 1 d . . . . .
H46 H 0.180401 0.428108 -0.222094 0.038 Uiso 1 1 calc R U . . .
P4 P 0.36958(12) 0.50507(5) 0.48638(8) 0.0203(3) Uani 1 1 d . . . . .
O8 O 0.2563(4) 0.50211(17) 0.4025(2) 0.0310(9) Uani 1 1 d . . . . .
C47 C 0.3691(5) 0.4437(2) 0.5579(4) 0.0242(11) Uani 1 1 d . . . . .
C48 C 0.4866(6) 0.4205(3) 0.6115(4) 0.0331(13) Uani 1 1 d . . . . .
H48 H 0.571023 0.436470 0.609583 0.040 Uiso 1 1 calc R U . . .
C49 C 0.4803(7) 0.3737(3) 0.6679(4) 0.0446(16) Uani 1 1 d . . . . .
H49 H 0.560123 0.358421 0.705606 0.054 Uiso 1 1 calc R U . . .
C50 C 0.3582(8) 0.3498(3) 0.6685(5) 0.0428(16) Uani 1 1 d . . . . .
H50 H 0.354591 0.317637 0.706292 0.051 Uiso 1 1 calc R U . . .
C51 C 0.2400(7) 0.3718(3) 0.6150(4) 0.0389(15) Uani 1 1 d . . . . .
H51 H 0.156105 0.355086 0.616168 0.047 Uiso 1 1 calc R U . . .
C52 C 0.2465(6) 0.4187(3) 0.5598(4) 0.0302(12) Uani 1 1 d . . . . .
H52 H 0.166206 0.433993 0.522762 0.036 Uiso 1 1 calc R U . . .
C53 C 0.3569(4) 0.56807(13) 0.5526(2) 0.0236(10) Uani 1 1 d G . . . .
C58 C 0.3030(5) 0.61720(16) 0.5062(2) 0.0486(18) Uani 1 1 d G . . . .
H58 H 0.273930 0.616793 0.441684 0.058 Uiso 1 1 calc R U . . .
C57 C 0.2917(5) 0.66692(14) 0.5544(3) 0.062(2) Uani 1 1 d G . . . .
H57 H 0.254921 0.700500 0.522678 0.075 Uiso 1 1 calc R U . . .
C56 C 0.3343(5) 0.66752(14) 0.6488(3) 0.0471(18) Uani 1 1 d G . . . .
H56 H 0.326606 0.701506 0.681687 0.056 Uiso 1 1 calc R U . . .
C55 C 0.3882(5) 0.61840(18) 0.6951(2) 0.0454(18) Uani 1 1 d G . . . .
H55 H 0.417300 0.618805 0.759703 0.055 Uiso 1 1 calc R U . . .
C54 C 0.3995(4) 0.56867(14) 0.6470(2) 0.0332(13) Uani 1 1 d G . . . .
H54 H 0.436310 0.535097 0.678711 0.040 Uiso 1 1 calc R U . . .
C59 C 0.5299(5) 0.5072(2) 0.4585(3) 0.0210(10) Uani 1 1 d . . . . .
C60 C 0.6199(5) 0.5523(2) 0.4827(3) 0.0236(10) Uani 1 1 d . . . . .
H60 H 0.596894 0.583751 0.515840 0.028 Uiso 1 1 calc R U . . .
C61 C 0.7420(6) 0.5519(3) 0.4593(4) 0.0299(12) Uani 1 1 d . . . . .
H61 H 0.802868 0.582707 0.476859 0.036 Uiso 1 1 calc R U . . .
C62 C 0.7755(6) 0.5065(3) 0.4103(4) 0.0348(14) Uani 1 1 d . . . . .
H62 H 0.859517 0.506373 0.394119 0.042 Uiso 1 1 calc R U . . .
C63 C 0.6879(6) 0.4613(3) 0.3847(4) 0.0357(14) Uani 1 1 d . . . . .
H63 H 0.711828 0.430362 0.350983 0.043 Uiso 1 1 calc R U . . .
C64 C 0.5644(6) 0.4611(2) 0.4083(4) 0.0288(11) Uani 1 1 d . . . . .
H64 H 0.503997 0.430135 0.390727 0.035 Uiso 1 1 calc R U . . .
O10 O 0.1355(14) 0.6456(4) 0.0108(7) 0.065(3) Uani 0.5 1 d D U P B 2
H10A H 0.170885 0.669043 0.051586 0.097 Uiso 0.5 1 d R U P B 2
C65 C 0.0543(15) 0.6761(5) -0.0653(9) 0.056(4) Uani 0.5 1 d D U P B 2
H65A H -0.013082 0.698598 -0.042783 0.067 Uiso 0.5 1 calc R U P B 2
H65B H 0.004909 0.647666 -0.109084 0.067 Uiso 0.5 1 calc R U P B 2
C66 C 0.1279(14) 0.7175(6) -0.1181(10) 0.045(3) Uani 0.5 1 d D U P B 2
H66A H 0.148181 0.697372 -0.170185 0.067 Uiso 0.5 1 calc R U P B 2
H66B H 0.211467 0.730717 -0.077480 0.067 Uiso 0.5 1 calc R U P B 2
H66C H 0.070214 0.750462 -0.139963 0.067 Uiso 0.5 1 calc R U P B 2
O11 O 0.2307(9) 0.6249(4) 0.0647(6) 0.0348(19) Uani 0.5 1 d . . P C 1
H11A H 0.236461 0.654329 0.103213 0.052 Uiso 0.5 1 d R U P C 1
H11B H 0.196411 0.597419 0.092103 0.052 Uiso 0.5 1 d R U P C 1


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Dy1 O1 2.338(3) . ?
Dy1 O2 2.359(3) . ?
Dy1 O3 2.372(3) . ?
Dy1 O4 2.386(3) . ?
Dy1 O5 2.360(3) . ?
Dy1 O6 2.210(3) . ?
Dy1 O7 2.222(3) 1_455 ?
P1 O6 1.514(3) . ?
P1 C1 1.792(5) . ?
P1 C7 1.801(5) . ?
P1 C13 1.788(5) . ?
P6 O7 1.515(3) . ?
P6 C16 1.792(5) . ?
P6 C17 1.796(5) . ?
P6 C23 1.795(3) . ?
O1 H1A 0.8949 . ?
O1 H1B 0.8999 . ?
O2 H2A 0.8742 . ?
O2 H2B 0.8680 . ?
O3 H3A 0.8738 . ?
O3 H3B 0.8735 . ?
O4 H4A 0.8765 . ?
O4 H4B 0.8774 . ?
O5 H5A 0.8801 . ?
O5 H5B 0.8802 . ?
C1 C2 1.403(7) . ?
C1 C6 1.387(7) . ?
C2 H2 0.9500 . ?
C2 C3 1.399(8) . ?
C3 H3 0.9500 . ?
C3 C4 1.369(8) . ?
C4 H4 0.9500 . ?
C4 C5 1.392(8) . ?
C5 H5 0.9500 . ?
C5 C6 1.385(8) . ?
C6 H6 0.9500 . ?
C7 C8 1.394(7) . ?
C7 C12 1.390(7) . ?
C8 H8 0.9500 . ?
C8 C9 1.384(8) . ?
C9 H9 0.9500 . ?
C9 C10 1.393(9) . ?
C10 H10 0.9500 . ?
C10 C11 1.400(10) . ?
C11 H11 0.9500 . ?
C11 C12 1.383(8) . ?
C12 H12 0.9500 . ?
C13 H13A 0.9900 . ?
C13 H13B 0.9900 . ?
C13 C14 1.529(7) . ?
C14 H14A 0.9900 . ?
C14 H14B 0.9900 . ?
C14 C15 1.517(7) . ?
C15 H15A 0.9900 . ?
C15 H15B 0.9900 . ?
C15 C16 1.519(7) . ?
C16 H16A 0.9900 . ?
C16 H16B 0.9900 . ?
C17 C18 1.389(7) . ?
C17 C22 1.379(7) . ?
C18 H18 0.9500 . ?
C18 C19 1.394(7) . ?
C19 H19 0.9500 . ?
C19 C20 1.383(8) . ?
C20 H20 0.9500 . ?
C20 C21 1.378(9) . ?
C21 H21 0.9500 . ?
C21 C22 1.379(8) . ?
C22 H22 0.9500 . ?
C24 H24 0.9500 . ?
C24 C23 1.3900 . ?
C24 C25 1.3900 . ?
C23 C28 1.3900 . ?
C28 H28 0.9500 . ?
C28 C27 1.3900 . ?
C27 H27 0.9500 . ?
C27 C26 1.3900 . ?
C26 H26 0.9500 . ?
C26 C25 1.3900 . ?
C25 H25 0.9500 . ?
P3 O9 1.513(4) . ?
P3 C29 1.792(6) . ?
P3 C35 1.798(5) . ?
P3 C41 1.805(6) . ?
C29 C30 1.393(8) . ?
C29 C34 1.395(8) . ?
C30 H30 0.9500 . ?
C30 C31 1.376(10) . ?
C31 H31 0.9500 . ?
C31 C32 1.383(11) . ?
C32 H32 0.9500 . ?
C32 C33 1.394(11) . ?
C33 H33 0.9500 . ?
C33 C34 1.379(9) . ?
C34 H34 0.9500 . ?
C35 C36 1.399(8) . ?
C35 C40 1.391(7) . ?
C36 H36 0.9500 . ?
C36 C37 1.387(9) . ?
C37 H37 0.9500 . ?
C37 C38 1.393(9) . ?
C38 H38 0.9500 . ?
C38 C39 1.381(9) . ?
C39 H39 0.9500 . ?
C39 C40 1.395(9) . ?
C40 H40 0.9500 . ?
C41 C42 1.392(8) . ?
C41 C46 1.389(9) . ?
C42 H42 0.9500 . ?
C42 C43 1.384(9) . ?
C43 H43 0.9500 . ?
C43 C44 1.380(10) . ?
C44 H44 0.9500 . ?
C44 C45 1.391(10) . ?
C45 H45 0.9500 . ?
C45 C46 1.390(9) . ?
C46 H46 0.9500 . ?
P4 O8 1.506(4) . ?
P4 C47 1.797(6) . ?
P4 C53 1.802(3) . ?
P4 C59 1.793(5) . ?
C47 C48 1.395(8) . ?
C47 C52 1.393(8) . ?
C48 H48 0.9500 . ?
C48 C49 1.397(9) . ?
C49 H49 0.9500 . ?
C49 C50 1.374(10) . ?
C50 H50 0.9500 . ?
C50 C51 1.389(10) . ?
C51 H51 0.9500 . ?
C51 C52 1.388(9) . ?
C52 H52 0.9500 . ?
C53 C58 1.3900 . ?
C53 C54 1.3900 . ?
C58 H58 0.9500 . ?
C58 C57 1.3900 . ?
C57 H57 0.9500 . ?
C57 C56 1.3900 . ?
C56 H56 0.9500 . ?
C56 C55 1.3900 . ?
C55 H55 0.9500 . ?
C55 C54 1.3900 . ?
C54 H54 0.9500 . ?
C59 C60 1.392(7) . ?
C59 C64 1.410(8) . ?
C60 H60 0.9500 . ?
C60 C61 1.380(8) . ?
C61 H61 0.9500 . ?
C61 C62 1.382(9) . ?
C62 H62 0.9500 . ?
C62 C63 1.382(9) . ?
C63 H63 0.9500 . ?
C63 C64 1.396(9) . ?
C64 H64 0.9500 . ?
O10 H10A 0.8401 . ?
O10 C65 1.440(7) . ?
C65 H65A 0.9900 . ?
C65 H65B 0.9900 . ?
C65 C66 1.557(18) . ?
C66 H66A 0.9800 . ?
C66 H66B 0.9800 . ?
C66 H66C 0.9800 . ?
O11 H11A 0.8924 . ?
O11 H11B 0.8814 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
O1 Dy1 O2 73.80(12) . . ?
O1 Dy1 O3 143.95(12) . . ?
O1 Dy1 O4 143.31(12) . . ?
O1 Dy1 O5 72.04(12) . . ?
O2 Dy1 O3 71.88(12) . . ?
O2 Dy1 O4 142.75(12) . . ?
O2 Dy1 O5 145.04(12) . . ?
O3 Dy1 O4 71.14(12) . . ?
O5 Dy1 O3 143.07(12) . . ?
O5 Dy1 O4 71.98(12) . . ?
O6 Dy1 O1 86.04(13) . . ?
O6 Dy1 O2 94.40(12) . . ?
O6 Dy1 O3 85.89(12) . . ?
O6 Dy1 O4 87.30(13) . . ?
O6 Dy1 O5 90.48(13) . . ?
O6 Dy1 O7 177.75(14) . 1_455 ?
O7 Dy1 O1 93.36(13) 1_455 . ?
O7 Dy1 O2 87.51(12) 1_455 . ?
O7 Dy1 O3 95.84(12) 1_455 . ?
O7 Dy1 O4 91.90(12) 1_455 . ?
O7 Dy1 O5 87.28(13) 1_455 . ?
O6 P1 C1 110.2(2) . . ?
O6 P1 C7 108.6(2) . . ?
O6 P1 C13 112.0(2) . . ?
C1 P1 C7 110.8(2) . . ?
C13 P1 C1 108.6(2) . . ?
C13 P1 C7 106.6(2) . . ?
O7 P6 C16 112.2(2) . . ?
O7 P6 C17 109.8(2) . . ?
O7 P6 C23 110.41(18) . . ?
C16 P6 C17 108.5(2) . . ?
C16 P6 C23 106.5(2) . . ?
C23 P6 C17 109.3(2) . . ?
Dy1 O1 H1A 123.1 . . ?
Dy1 O1 H1B 129.6 . . ?
H1A O1 H1B 104.3 . . ?
Dy1 O2 H2A 124.5 . . ?
Dy1 O2 H2B 132.0 . . ?
H2A O2 H2B 102.8 . . ?
Dy1 O3 H3A 123.6 . . ?
Dy1 O3 H3B 116.7 . . ?
H3A O3 H3B 104.3 . . ?
Dy1 O4 H4A 127.7 . . ?
Dy1 O4 H4B 127.7 . . ?
H4A O4 H4B 104.6 . . ?
Dy1 O5 H5A 122.0 . . ?
Dy1 O5 H5B 133.1 . . ?
H5A O5 H5B 104.0 . . ?
P1 O6 Dy1 163.2(2) . . ?
P6 O7 Dy1 173.1(2) . 1_655 ?
C2 C1 P1 118.2(4) . . ?
C6 C1 P1 122.0(4) . . ?
C6 C1 C2 119.8(5) . . ?
C1 C2 H2 120.4 . . ?
C3 C2 C1 119.1(5) . . ?
C3 C2 H2 120.4 . . ?
C2 C3 H3 119.6 . . ?
C4 C3 C2 120.8(5) . . ?
C4 C3 H3 119.6 . . ?
C3 C4 H4 120.1 . . ?
C3 C4 C5 119.9(5) . . ?
C5 C4 H4 120.1 . . ?
C4 C5 H5 119.9 . . ?
C6 C5 C4 120.2(5) . . ?
C6 C5 H5 119.9 . . ?
C1 C6 H6 119.9 . . ?
C5 C6 C1 120.2(5) . . ?
C5 C6 H6 119.9 . . ?
C8 C7 P1 119.0(4) . . ?
C12 C7 P1 121.4(4) . . ?
C12 C7 C8 119.6(5) . . ?
C7 C8 H8 119.7 . . ?
C9 C8 C7 120.6(5) . . ?
C9 C8 H8 119.7 . . ?
C8 C9 H9 120.1 . . ?
C8 C9 C10 119.7(6) . . ?
C10 C9 H9 120.1 . . ?
C9 C10 H10 120.1 . . ?
C9 C10 C11 119.8(6) . . ?
C11 C10 H10 120.1 . . ?
C10 C11 H11 120.0 . . ?
C12 C11 C10 120.1(5) . . ?
C12 C11 H11 120.0 . . ?
C7 C12 H12 119.9 . . ?
C11 C12 C7 120.2(5) . . ?
C11 C12 H12 119.9 . . ?
P1 C13 H13A 109.2 . . ?
P1 C13 H13B 109.2 . . ?
H13A C13 H13B 107.9 . . ?
C14 C13 P1 112.2(3) . . ?
C14 C13 H13A 109.2 . . ?
C14 C13 H13B 109.2 . . ?
C13 C14 H14A 109.1 . . ?
C13 C14 H14B 109.1 . . ?
H14A C14 H14B 107.9 . . ?
C15 C14 C13 112.3(4) . . ?
C15 C14 H14A 109.1 . . ?
C15 C14 H14B 109.1 . . ?
C14 C15 H15A 109.1 . . ?
C14 C15 H15B 109.1 . . ?
C14 C15 C16 112.3(4) . . ?
H15A C15 H15B 107.9 . . ?
C16 C15 H15A 109.1 . . ?
C16 C15 H15B 109.1 . . ?
P6 C16 H16A 109.3 . . ?
P6 C16 H16B 109.3 . . ?
C15 C16 P6 111.5(3) . . ?
C15 C16 H16A 109.3 . . ?
C15 C16 H16B 109.3 . . ?
H16A C16 H16B 108.0 . . ?
C18 C17 P6 121.2(4) . . ?
C22 C17 P6 119.0(4) . . ?
C22 C17 C18 119.8(5) . . ?
C17 C18 H18 120.2 . . ?
C17 C18 C19 119.6(5) . . ?
C19 C18 H18 120.2 . . ?
C18 C19 H19 120.0 . . ?
C20 C19 C18 119.9(5) . . ?
C20 C19 H19 120.0 . . ?
C19 C20 H20 120.0 . . ?
C21 C20 C19 120.1(5) . . ?
C21 C20 H20 120.0 . . ?
C20 C21 H21 120.0 . . ?
C20 C21 C22 120.1(5) . . ?
C22 C21 H21 120.0 . . ?
C17 C22 H22 119.7 . . ?
C21 C22 C17 120.5(5) . . ?
C21 C22 H22 119.7 . . ?
C23 C24 H24 120.0 . . ?
C23 C24 C25 120.0 . . ?
C25 C24 H24 120.0 . . ?
C24 C23 P6 120.5(2) . . ?
C24 C23 C28 120.0 . . ?
C28 C23 P6 119.5(2) . . ?
C23 C28 H28 120.0 . . ?
C23 C28 C27 120.0 . . ?
C27 C28 H28 120.0 . . ?
C28 C27 H27 120.0 . . ?
C28 C27 C26 120.0 . . ?
C26 C27 H27 120.0 . . ?
C27 C26 H26 120.0 . . ?
C25 C26 C27 120.0 . . ?
C25 C26 H26 120.0 . . ?
C24 C25 H25 120.0 . . ?
C26 C25 C24 120.0 . . ?
C26 C25 H25 120.0 . . ?
O9 P3 C29 112.3(3) . . ?
O9 P3 C35 109.9(3) . . ?
O9 P3 C41 111.0(2) . . ?
C29 P3 C35 108.3(2) . . ?
C29 P3 C41 107.7(3) . . ?
C35 P3 C41 107.4(2) . . ?
C30 C29 P3 119.7(5) . . ?
C30 C29 C34 119.8(5) . . ?
C34 C29 P3 120.4(4) . . ?
C29 C30 H30 120.0 . . ?
C31 C30 C29 120.0(7) . . ?
C31 C30 H30 120.0 . . ?
C30 C31 H31 119.9 . . ?
C30 C31 C32 120.2(7) . . ?
C32 C31 H31 119.9 . . ?
C31 C32 H32 119.9 . . ?
C31 C32 C33 120.1(6) . . ?
C33 C32 H32 119.9 . . ?
C32 C33 H33 120.0 . . ?
C34 C33 C32 120.0(6) . . ?
C34 C33 H33 120.0 . . ?
C29 C34 H34 120.1 . . ?
C33 C34 C29 119.8(6) . . ?
C33 C34 H34 120.1 . . ?
C36 C35 P3 117.3(4) . . ?
C40 C35 P3 123.4(4) . . ?
C40 C35 C36 119.3(5) . . ?
C35 C36 H36 119.6 . . ?
C37 C36 C35 120.8(5) . . ?
C37 C36 H36 119.6 . . ?
C36 C37 H37 120.5 . . ?
C36 C37 C38 119.0(6) . . ?
C38 C37 H37 120.5 . . ?
C37 C38 H38 119.5 . . ?
C39 C38 C37 121.0(6) . . ?
C39 C38 H38 119.5 . . ?
C38 C39 H39 120.1 . . ?
C38 C39 C40 119.8(6) . . ?
C40 C39 H39 120.1 . . ?
C35 C40 C39 120.1(6) . . ?
C35 C40 H40 120.0 . . ?
C39 C40 H40 120.0 . . ?
C42 C41 P3 118.1(5) . . ?
C46 C41 P3 122.0(4) . . ?
C46 C41 C42 119.8(5) . . ?
C41 C42 H42 120.0 . . ?
C43 C42 C41 120.0(6) . . ?
C43 C42 H42 120.0 . . ?
C42 C43 H43 119.6 . . ?
C44 C43 C42 120.8(6) . . ?
C44 C43 H43 119.6 . . ?
C43 C44 H44 120.4 . . ?
C43 C44 C45 119.1(6) . . ?
C45 C44 H44 120.4 . . ?
C44 C45 H45 119.6 . . ?
C46 C45 C44 120.8(6) . . ?
C46 C45 H45 119.6 . . ?
C41 C46 C45 119.5(6) . . ?
C41 C46 H46 120.2 . . ?
C45 C46 H46 120.2 . . ?
O8 P4 C47 111.0(2) . . ?
O8 P4 C53 111.2(2) . . ?
O8 P4 C59 111.9(2) . . ?
C47 P4 C53 108.0(2) . . ?
C59 P4 C47 107.2(2) . . ?
C59 P4 C53 107.3(2) . . ?
C48 C47 P4 122.3(4) . . ?
C52 C47 P4 118.5(4) . . ?
C52 C47 C48 119.2(5) . . ?
C47 C48 H48 120.0 . . ?
C47 C48 C49 120.0(6) . . ?
C49 C48 H48 120.0 . . ?
C48 C49 H49 120.2 . . ?
C50 C49 C48 119.7(6) . . ?
C50 C49 H49 120.2 . . ?
C49 C50 H50 119.4 . . ?
C49 C50 C51 121.3(6) . . ?
C51 C50 H50 119.4 . . ?
C50 C51 H51 120.6 . . ?
C52 C51 C50 118.9(6) . . ?
C52 C51 H51 120.6 . . ?
C47 C52 H52 119.5 . . ?
C51 C52 C47 121.0(6) . . ?
C51 C52 H52 119.5 . . ?
C58 C53 P4 117.9(2) . . ?
C58 C53 C54 120.0 . . ?
C54 C53 P4 122.1(2) . . ?
C53 C58 H58 120.0 . . ?
C57 C58 C53 120.0 . . ?
C57 C58 H58 120.0 . . ?
C58 C57 H57 120.0 . . ?
C56 C57 C58 120.0 . . ?
C56 C57 H57 120.0 . . ?
C57 C56 H56 120.0 . . ?
C57 C56 C55 120.0 . . ?
C55 C56 H56 120.0 . . ?
C56 C55 H55 120.0 . . ?
C56 C55 C54 120.0 . . ?
C54 C55 H55 120.0 . . ?
C53 C54 H54 120.0 . . ?
C55 C54 C53 120.0 . . ?
C55 C54 H54 120.0 . . ?
C60 C59 P4 123.3(4) . . ?
C60 C59 C64 119.0(5) . . ?
C64 C59 P4 117.7(4) . . ?
C59 C60 H60 119.5 . . ?
C61 C60 C59 120.9(5) . . ?
C61 C60 H60 119.5 . . ?
C60 C61 H61 120.1 . . ?
C60 C61 C62 119.9(6) . . ?
C62 C61 H61 120.1 . . ?
C61 C62 H62 119.7 . . ?
C63 C62 C61 120.6(5) . . ?
C63 C62 H62 119.7 . . ?
C62 C63 H63 120.0 . . ?
C62 C63 C64 120.1(6) . . ?
C64 C63 H63 120.0 . . ?
C59 C64 H64 120.2 . . ?
C63 C64 C59 119.6(5) . . ?
C63 C64 H64 120.2 . . ?
C65 O10 H10A 109.3 . . ?
O10 C65 H65A 108.0 . . ?
O10 C65 H65B 108.0 . . ?
O10 C65 C66 117.2(12) . . ?
H65A C65 H65B 107.2 . . ?
C66 C65 H65A 108.0 . . ?
C66 C65 H65B 108.0 . . ?
C65 C66 H66A 109.5 . . ?
C65 C66 H66B 109.5 . . ?
C65 C66 H66C 109.5 . . ?
H66A C66 H66B 109.5 . . ?
H66A C66 H66C 109.5 . . ?
H66B C66 H66C 109.5 . . ?
H11A O11 H11B 103.3 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
P1 C1 C2 C3 -179.5(4) . . . . ?
P1 C1 C6 C5 179.4(5) . . . . ?
P1 C7 C8 C9 -175.3(5) . . . . ?
P1 C7 C12 C11 175.9(4) . . . . ?
P1 C13 C14 C15 162.3(4) . . . . ?
P6 C17 C18 C19 180.0(4) . . . . ?
P6 C17 C22 C21 179.2(4) . . . . ?
P6 C23 C28 C27 -179.9(3) . . . . ?
O6 P1 C1 C2 -17.9(5) . . . . ?
O6 P1 C1 C6 162.4(5) . . . . ?
O6 P1 C7 C8 18.1(5) . . . . ?
O6 P1 C7 C12 -160.0(4) . . . . ?
O6 P1 C13 C14 56.3(4) . . . . ?
O7 P6 C16 C15 -53.0(4) . . . . ?
O7 P6 C17 C18 -151.0(4) . . . . ?
O7 P6 C17 C22 29.6(5) . . . . ?
O7 P6 C23 C24 174.8(3) . . . . ?
O7 P6 C23 C28 -5.3(3) . . . . ?
C1 P1 O6 Dy1 -116.7(8) . . . . ?
C1 P1 C7 C8 -103.1(4) . . . . ?
C1 P1 C7 C12 78.9(5) . . . . ?
C1 P1 C13 C14 178.2(4) . . . . ?
C1 C2 C3 C4 0.0(9) . . . . ?
C2 C1 C6 C5 -0.3(9) . . . . ?
C2 C3 C4 C5 -0.2(9) . . . . ?
C3 C4 C5 C6 0.1(9) . . . . ?
C4 C5 C6 C1 0.1(10) . . . . ?
C6 C1 C2 C3 0.3(8) . . . . ?
C7 P1 O6 Dy1 121.8(8) . . . . ?
C7 P1 C1 C2 102.4(5) . . . . ?
C7 P1 C1 C6 -77.3(5) . . . . ?
C7 P1 C13 C14 -62.4(4) . . . . ?
C7 C8 C9 C10 -1.9(10) . . . . ?
C8 C7 C12 C11 -2.1(8) . . . . ?
C8 C9 C10 C11 0.3(10) . . . . ?
C9 C10 C11 C12 0.3(10) . . . . ?
C10 C11 C12 C7 0.6(9) . . . . ?
C12 C7 C8 C9 2.8(8) . . . . ?
C13 P1 O6 Dy1 4.3(9) . . . . ?
C13 P1 C1 C2 -140.8(4) . . . . ?
C13 P1 C1 C6 39.4(5) . . . . ?
C13 P1 C7 C8 138.9(4) . . . . ?
C13 P1 C7 C12 -39.1(5) . . . . ?
C13 C14 C15 C16 175.4(4) . . . . ?
C14 C15 C16 P6 178.7(4) . . . . ?
C16 P6 C17 C18 -28.0(5) . . . . ?
C16 P6 C17 C22 152.6(4) . . . . ?
C16 P6 C23 C24 52.7(3) . . . . ?
C16 P6 C23 C28 -127.4(3) . . . . ?
C17 P6 C16 C15 -174.4(4) . . . . ?
C17 P6 C23 C24 -64.4(3) . . . . ?
C17 P6 C23 C28 115.5(3) . . . . ?
C17 C18 C19 C20 0.1(9) . . . . ?
C18 C17 C22 C21 -0.1(8) . . . . ?
C18 C19 C20 C21 1.2(9) . . . . ?
C19 C20 C21 C22 -2.0(9) . . . . ?
C20 C21 C22 C17 1.5(9) . . . . ?
C22 C17 C18 C19 -0.6(8) . . . . ?
C24 C23 C28 C27 0.0 . . . . ?
C23 P6 C16 C15 68.0(4) . . . . ?
C23 P6 C17 C18 87.8(4) . . . . ?
C23 P6 C17 C22 -91.6(4) . . . . ?
C23 C24 C25 C26 0.0 . . . . ?
C23 C28 C27 C26 0.0 . . . . ?
C28 C27 C26 C25 0.0 . . . . ?
C27 C26 C25 C24 0.0 . . . . ?
C25 C24 C23 P6 179.9(3) . . . . ?
C25 C24 C23 C28 0.0 . . . . ?
P3 C29 C30 C31 -178.4(6) . . . . ?
P3 C29 C34 C33 176.8(5) . . . . ?
P3 C35 C36 C37 176.4(5) . . . . ?
P3 C35 C40 C39 -175.7(5) . . . . ?
P3 C41 C42 C43 176.5(4) . . . . ?
P3 C41 C46 C45 -176.1(4) . . . . ?
O9 P3 C29 C30 -23.7(6) . . . . ?
O9 P3 C29 C34 159.0(5) . . . . ?
O9 P3 C35 C36 -37.9(5) . . . . ?
O9 P3 C35 C40 140.4(4) . . . . ?
O9 P3 C41 C42 -63.3(5) . . . . ?
O9 P3 C41 C46 112.3(5) . . . . ?
C29 P3 C35 C36 85.1(5) . . . . ?
C29 P3 C35 C40 -96.6(5) . . . . ?
C29 P3 C41 C42 173.3(4) . . . . ?
C29 P3 C41 C46 -11.1(5) . . . . ?
C29 C30 C31 C32 2.5(11) . . . . ?
C30 C29 C34 C33 -0.5(9) . . . . ?
C30 C31 C32 C33 -2.4(11) . . . . ?
C31 C32 C33 C34 0.9(10) . . . . ?
C32 C33 C34 C29 0.6(10) . . . . ?
C34 C29 C30 C31 -1.0(10) . . . . ?
C35 P3 C29 C30 -145.2(5) . . . . ?
C35 P3 C29 C34 37.4(5) . . . . ?
C35 P3 C41 C42 56.9(5) . . . . ?
C35 P3 C41 C46 -127.5(4) . . . . ?
C35 C36 C37 C38 -0.5(9) . . . . ?
C36 C35 C40 C39 2.6(8) . . . . ?
C36 C37 C38 C39 2.4(10) . . . . ?
C37 C38 C39 C40 -1.7(11) . . . . ?
C38 C39 C40 C35 -0.8(10) . . . . ?
C40 C35 C36 C37 -1.9(8) . . . . ?
C41 P3 C29 C30 98.9(5) . . . . ?
C41 P3 C29 C34 -78.5(5) . . . . ?
C41 P3 C35 C36 -158.8(4) . . . . ?
C41 P3 C35 C40 19.5(5) . . . . ?
C41 C42 C43 C44 -0.5(9) . . . . ?
C42 C41 C46 C45 -0.6(8) . . . . ?
C42 C43 C44 C45 0.0(9) . . . . ?
C43 C44 C45 C46 0.2(9) . . . . ?
C44 C45 C46 C41 0.1(9) . . . . ?
C46 C41 C42 C43 0.8(8) . . . . ?
P4 C47 C48 C49 178.1(5) . . . . ?
P4 C47 C52 C51 -178.9(5) . . . . ?
P4 C53 C58 C57 -179.7(3) . . . . ?
P4 C53 C54 C55 179.7(3) . . . . ?
P4 C59 C60 C61 -179.8(4) . . . . ?
P4 C59 C64 C63 179.6(4) . . . . ?
O8 P4 C47 C48 148.1(5) . . . . ?
O8 P4 C47 C52 -32.2(5) . . . . ?
O8 P4 C53 C58 -32.8(3) . . . . ?
O8 P4 C53 C54 147.4(3) . . . . ?
O8 P4 C59 C60 119.7(4) . . . . ?
O8 P4 C59 C64 -59.3(5) . . . . ?
C47 P4 C53 C58 -154.9(3) . . . . ?
C47 P4 C53 C54 25.4(3) . . . . ?
C47 P4 C59 C60 -118.4(4) . . . . ?
C47 P4 C59 C64 62.6(4) . . . . ?
C47 C48 C49 C50 1.6(10) . . . . ?
C48 C47 C52 C51 0.9(9) . . . . ?
C48 C49 C50 C51 -1.0(11) . . . . ?
C49 C50 C51 C52 0.3(10) . . . . ?
C50 C51 C52 C47 -0.2(9) . . . . ?
C52 C47 C48 C49 -1.6(9) . . . . ?
C53 P4 C47 C48 -89.8(5) . . . . ?
C53 P4 C47 C52 90.0(5) . . . . ?
C53 P4 C59 C60 -2.6(5) . . . . ?
C53 P4 C59 C64 178.4(4) . . . . ?
C53 C58 C57 C56 0.0 . . . . ?
C58 C53 C54 C55 0.0 . . . . ?
C58 C57 C56 C55 0.0 . . . . ?
C57 C56 C55 C54 0.0 . . . . ?
C56 C55 C54 C53 0.0 . . . . ?
C54 C53 C58 C57 0.0 . . . . ?
C59 P4 C47 C48 25.6(5) . . . . ?
C59 P4 C47 C52 -154.7(4) . . . . ?
C59 P4 C53 C58 89.8(3) . . . . ?
C59 P4 C53 C54 -89.9(3) . . . . ?
C59 C60 C61 C62 0.7(8) . . . . ?
C60 C59 C64 C63 0.5(8) . . . . ?
C60 C61 C62 C63 -0.2(9) . . . . ?
C61 C62 C63 C64 -0.1(9) . . . . ?
C62 C63 C64 C59 -0.1(9) . . . . ?
C64 C59 C60 C61 -0.8(8) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
loop_
_twin_individual_id
_twin_individual_mass_fraction_refined
1 0.975(7)
2 0.025(7)

